W3K

N,N-dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)aniline

Created:2023-09-16
Last modified:  2024-10-09

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count16
2D diagram of W3K

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Chemical Component Summary

NameN,N-dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)aniline
Systematic Name (OpenEye OEToolkits)~{N},~{N}-dimethyl-4-(5-methyl-1~{H}-benzimidazol-2-yl)aniline
FormulaC16 H17 N3
Molecular Weight251.326
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN(C)c1ccc(cc1)c2[nH]c3ccc(C)cc3n2
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)nc([nH]2)c3ccc(cc3)N(C)C
Canonical SMILESCACTVS3.385 CN(C)c1ccc(cc1)c2[nH]c3ccc(C)cc3n2
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc2c(c1)nc([nH]2)c3ccc(cc3)N(C)C
InChIInChI1.06 InChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18)
InChIKeyInChI1.06 DCBQWCSRVVGWAN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 950737
ChEMBL CHEMBL4528654