N-benzhydryl-1-methylbenzimidazole-5-carboxamide

C22H19N3O — CID 100775960

IUPACN-benzhydryl-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C22H19N3O/c1-25-15-23-19-14-18(12-13-20(19)25)22(26)24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3,(H,24,26)
InChIKeyJRCVEVOXFGDEHK-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.09
Rot. Bonds4

About N-benzhydryl-1-methylbenzimidazole-5-carboxamide

N-benzhydryl-1-methylbenzimidazole-5-carboxamide (PubChem CID 100775960) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzhydryl-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-methylbenzimidazole-5-carboxamide
PubChem CID100775960
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-benzhydryl-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C22H19N3O/c1-25-15-23-19-14-18(12-13-20(19)25)22(26)24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3,(H,24,26)
InChIKeyJRCVEVOXFGDEHK-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(1-phenyl-3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 46975986
1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide
CID 100775917
N-[(S)-[4-(fluoromethyl)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 90225802
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
CID 110692630
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-benzhydryl-1-methylbenzimidazole-5-carboxamide (CID 100775960) is N-benzhydryl-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-benzhydryl-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-benzhydryl-1-methylbenzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-benzhydryl-1-methylbenzimidazole-5-carboxamide?
The InChIKey is JRCVEVOXFGDEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-25-15-23-19-14-18(12-13-20(19)25)22(26)24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3,(H,24,26).
What are the key properties of N-benzhydryl-1-methylbenzimidazole-5-carboxamide?
N-benzhydryl-1-methylbenzimidazole-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 100775960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).