N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide

C15H13N3O — CID 110700901

IUPACN-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
SMILESCN(C(=O)c1cccc2[nH]cnc12)c1ccccc1
InChIInChI=1S/C15H13N3O/c1-18(11-6-3-2-4-7-11)15(19)12-8-5-9-13-14(12)17-10-16-13/h2-10H,1H3,(H,16,17)
InChIKeyYRDUUJBWLFKXOJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.84
Rot. Bonds2

About N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide

N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide (PubChem CID 110700901) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
PubChem CID110700901
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
SMILESCN(C(=O)c1cccc2[nH]cnc12)c1ccccc1
InChIInChI=1S/C15H13N3O/c1-18(11-6-3-2-4-7-11)15(19)12-8-5-9-13-14(12)17-10-16-13/h2-10H,1H3,(H,16,17)
InChIKeyYRDUUJBWLFKXOJ-UHFFFAOYSA-N
XLogP2.84
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

lithium 1H-benzimidazole-4-carboxylate
CID 141288016
bis(1H-benzimidazol-4-yl)methanethione
CID 174817442
N,2-dimethyl-N-phenylbenzamide
CID 5222383
1H-benzimidazole-4-carboxylic acid;2,3-diaminobenzoic acid
CID 174935397
N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889
1H-benzimidazol-4-ylurea;1,1-diphenylurea
CID 174558316
N,2,3-trimethyl-N-phenylpyridine-4-carboxamide
CID 110856944
1H-imidazo[4,5-c]pyridin-4-yl(methyl)carbamic acid
CID 69148967
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
N-cyclopropyl-1H-benzimidazole-4-carboxamide
CID 110700811
N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide
CID 71920410
2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 84573642

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide (CID 110700901) is N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide is CN(C(=O)c1cccc2[nH]cnc12)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide?
The InChIKey is YRDUUJBWLFKXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-18(11-6-3-2-4-7-11)15(19)12-8-5-9-13-14(12)17-10-16-13/h2-10H,1H3,(H,16,17).
What are the key properties of N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide?
N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 110700901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).