2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide

C21H20ClN5O — CID 53477263

IUPAC2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(-c2cnc(-c3ccc(Cl)cc3)[nH]2)nc2cc(C(=O)NC)ccc21
InChIInChI=1S/C21H20ClN5O/c1-3-10-27-18-9-6-14(21(28)23-2)11-16(18)26-20(27)17-12-24-19(25-17)13-4-7-15(22)8-5-13/h4-9,11-12H,3,10H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyKIWAKTREQWJJLO-UHFFFAOYSA-N
MW393.88 g/mol
LogP4.52
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide

2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide (PubChem CID 53477263) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide
PubChem CID53477263
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(-c2cnc(-c3ccc(Cl)cc3)[nH]2)nc2cc(C(=O)NC)ccc21
InChIInChI=1S/C21H20ClN5O/c1-3-10-27-18-9-6-14(21(28)23-2)11-16(18)26-20(27)17-12-24-19(25-17)13-4-7-15(22)8-5-13/h4-9,11-12H,3,10H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyKIWAKTREQWJJLO-UHFFFAOYSA-N
XLogP4.52
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-5-yl)benzimidazole-5-carboxamide
CID 16723206
2-(2,4-dichlorophenyl)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1-propylbenzimidazole-5-carboxamide
CID 118729445
5-(5-chloro-1-propylbenzimidazol-2-yl)-1H-pyrazol-3-amine
CID 64528085
2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
CID 176978642
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
CID 122371996
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 46803691
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
methyl 4-(5,6-dicyano-1-propylbenzimidazol-2-yl)benzoate
CID 172677578
bis(carbon dioxide);5-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole;5-[5-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole
CID 159948319
1-butyl-2-(3,4-dichlorophenyl)-N-(3-phenylpropyl)benzimidazole-5-carboxamide
CID 16679329
N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732047
1-[2-(dimethylamino)ethyl]-2-henicosyl-N-methylbenzimidazole-5-carboxamide
CID 22013758

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide (CID 53477263) is 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide is CCCn1c(-c2cnc(-c3ccc(Cl)cc3)[nH]2)nc2cc(C(=O)NC)ccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide?
The InChIKey is KIWAKTREQWJJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-3-10-27-18-9-6-14(21(28)23-2)11-16(18)26-20(27)17-12-24-19(25-17)13-4-7-15(22)8-5-13/h4-9,11-12H,3,10H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide?
2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide has a molecular weight of 393.88 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 53477263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).