N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

C15H12ClN3O — CID 2548252

IUPACN-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H12ClN3O/c16-12-3-1-2-10(6-12)8-17-15(20)11-4-5-13-14(7-11)19-9-18-13/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKeyYUPZEIRLRRKRFD-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.15
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 2548252) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID2548252
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC NameN-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H12ClN3O/c16-12-3-1-2-10(6-12)8-17-15(20)11-4-5-13-14(7-11)19-9-18-13/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKeyYUPZEIRLRRKRFD-UHFFFAOYSA-N
XLogP3.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(4-ethylsulfanylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794525
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492
N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475307
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894
N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444805
N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794398
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110666044

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 2548252) is N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is YUPZEIRLRRKRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-12-3-1-2-10(6-12)8-17-15(20)11-4-5-13-14(7-11)19-9-18-13/h1-7,9H,8H2,(H,17,20)(H,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 2548252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).