N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide

C24H22N4O2 — CID 31869991

IUPACN-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide
SMILESC[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H22N4O2/c1-16(28(2)24(30)19-11-12-21-22(14-19)26-15-25-21)18-9-6-10-20(13-18)27-23(29)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,25,26)(H,27,29)/t16-/m1/s1
InChIKeyRBCUEUPSNKLWAS-MRXNPFEDSA-N
MW398.47 g/mol
LogP4.65
Rot. Bonds5

About N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide

N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 31869991) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide
PubChem CID31869991
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide
SMILESC[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H22N4O2/c1-16(28(2)24(30)19-11-12-21-22(14-19)26-15-25-21)18-9-6-10-20(13-18)27-23(29)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,25,26)(H,27,29)/t16-/m1/s1
InChIKeyRBCUEUPSNKLWAS-MRXNPFEDSA-N
XLogP4.65
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide
CID 31870263
N-[1-(3-benzamidophenyl)ethyl]-N-methyl-3-nitrobenzamide
CID 46533511
N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 46514714
tert-butyl N-[3-[1-(3-benzamidophenyl)ethyl-methylcarbamoyl]phenyl]carbamate
CID 46533494
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 31870185
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
N-[3-[(1S)-1-[cyclopentanecarbonyl(methyl)amino]ethyl]phenyl]benzamide
CID 51930710

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide (CID 31869991) is N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide is C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is RBCUEUPSNKLWAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16(28(2)24(30)19-11-12-21-22(14-19)26-15-25-21)18-9-6-10-20(13-18)27-23(29)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,25,26)(H,27,29)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide?
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 31869991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).