1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide

C15H16ClN3O — CID 77091794

IUPAC1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H16ClN3O/c16-12-4-2-11(3-5-12)15(6-1-7-15)14(20)19-10-13-17-8-9-18-13/h2-5,8-9H,1,6-7,10H2,(H,17,18)(H,19,20)
InChIKeyGJOFAPNMXRURHJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 77091794) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID77091794
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H16ClN3O/c16-12-4-2-11(3-5-12)15(6-1-7-15)14(20)19-10-13-17-8-9-18-13/h2-5,8-9H,1,6-7,10H2,(H,17,18)(H,19,20)
InChIKeyGJOFAPNMXRURHJ-UHFFFAOYSA-N
XLogP2.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
CID 80593904
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide
CID 64530559
1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122351982
1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 80591308
N-but-3-ynyl-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 90537906
1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 121165751
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
1-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 78767408
1-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369485
1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 38536765

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide (CID 77091794) is 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide is O=C(NCc1ncc[nH]1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is GJOFAPNMXRURHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-4-2-11(3-5-12)15(6-1-7-15)14(20)19-10-13-17-8-9-18-13/h2-5,8-9H,1,6-7,10H2,(H,17,18)(H,19,20).
What are the key properties of 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 77091794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).