1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide

C19H16ClN5O — CID 16723206

IUPAC1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1cnc[nH]1)n2CCc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5O/c20-14-4-1-12(2-5-14)7-8-25-17-6-3-13(18(21)26)9-15(17)24-19(25)16-10-22-11-23-16/h1-6,9-11H,7-8H2,(H2,21,26)(H,22,23)
InChIKeyJBAKJRDKPHXWCM-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.42
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide

1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide (PubChem CID 16723206) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide
PubChem CID16723206
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1cnc[nH]1)n2CCc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5O/c20-14-4-1-12(2-5-14)7-8-25-17-6-3-13(18(21)26)9-15(17)24-19(25)16-10-22-11-23-16/h1-6,9-11H,7-8H2,(H2,21,26)(H,22,23)
InChIKeyJBAKJRDKPHXWCM-UHFFFAOYSA-N
XLogP3.42
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide
CID 122192066
2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide
CID 53477263
ethyl 2-[(4-chlorophenyl)methylsulfanyl]-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate
CID 46101587
N-(2-aminoethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-[2-(4-chlorophenyl)ethyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide
CID 90878994
[4-[(5-carbamoyl-2-methylbenzimidazol-1-yl)methyl]phenyl]phosphonous acid
CID 155205659
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
3-[5-carbamoyl-1-[2-[5-carbamoyl-2-(2-carboxy-4-chloro-7-fluoro-1-benzothiophen-3-yl)benzimidazol-1-yl]ethyl]benzimidazol-2-yl]-4-chloro-7-fluoro-1-benzothiophene-2-carboxylic acid
CID 155577544
N-(2-aminoethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-[2-(4-chlorophenyl)ethyl]-N-(3-phenylpropyl)benzimidazole-5-carboxamide
CID 91394508
N-(2-aminoethyl)-N-benzyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-[2-(4-chlorophenyl)ethyl]benzimidazole-5-carboxamide
CID 90910329
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide
CID 139561630

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide (CID 16723206) is 1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(-c1cnc[nH]1)n2CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide?
The InChIKey is JBAKJRDKPHXWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-14-4-1-12(2-5-14)7-8-25-17-6-3-13(18(21)26)9-15(17)24-19(25)16-10-22-11-23-16/h1-6,9-11H,7-8H2,(H2,21,26)(H,22,23).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 16723206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).