1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide

C21H22ClN3O — CID 55539115

IUPAC1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCCn1c(CNC(=O)C2(c3cccc(Cl)c3)CCC2)nc2ccccc21
InChIInChI=1S/C21H22ClN3O/c1-2-25-18-10-4-3-9-17(18)24-19(25)14-23-20(26)21(11-6-12-21)15-7-5-8-16(22)13-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,23,26)
InChIKeyCPTBPGLSADERPJ-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.45
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 55539115) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID55539115
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCCn1c(CNC(=O)C2(c3cccc(Cl)c3)CCC2)nc2ccccc21
InChIInChI=1S/C21H22ClN3O/c1-2-25-18-10-4-3-9-17(18)24-19(25)14-23-20(26)21(11-6-12-21)15-7-5-8-16(22)13-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,23,26)
InChIKeyCPTBPGLSADERPJ-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 17484999
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 47012382
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide
CID 75489193
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
1-(3-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]cyclobutane-1-carboxamide
CID 51078722
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 18116740
1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755506
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 24549089

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide (CID 55539115) is 1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide is CCn1c(CNC(=O)C2(c3cccc(Cl)c3)CCC2)nc2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is CPTBPGLSADERPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-2-25-18-10-4-3-9-17(18)24-19(25)14-23-20(26)21(11-6-12-21)15-7-5-8-16(22)13-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,23,26).
What are the key properties of 1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 55539115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).