1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide

C16H15N3O — CID 110765831

IUPAC1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccccc3)ccc2n1C
InChIInChI=1S/C16H15N3O/c1-11-17-14-10-12(8-9-15(14)19(11)2)16(20)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)
InChIKeyBNIGLKFADUHHHG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.13
Rot. Bonds2

About 1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide

1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide (PubChem CID 110765831) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
PubChem CID110765831
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccccc3)ccc2n1C
InChIInChI=1S/C16H15N3O/c1-11-17-14-10-12(8-9-15(14)19(11)2)16(20)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)
InChIKeyBNIGLKFADUHHHG-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
CID 110765853
N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 71881118
N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765870
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930
N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111445697
3-(1,2-dimethylbenzimidazol-5-yl)-2-methyl-3-oxopropanoic acid
CID 116918248

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide (CID 110765831) is 1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3ccccc3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide?
The InChIKey is BNIGLKFADUHHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-17-14-10-12(8-9-15(14)19(11)2)16(20)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20).
What are the key properties of 1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide?
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110765831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).