1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide

C17H20ClN3O — CID 110438464

IUPAC1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCCn1ccnc1)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C17H20ClN3O/c18-15-6-2-1-5-14(15)17(7-8-17)16(22)20-9-3-4-11-21-12-10-19-13-21/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,20,22)
InChIKeyIXXRMYCOEFCEHW-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.16
Rot. Bonds7

About 1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide

1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide (PubChem CID 110438464) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
PubChem CID110438464
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCCn1ccnc1)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C17H20ClN3O/c18-15-6-2-1-5-14(15)17(7-8-17)16(22)20-9-3-4-11-21-12-10-19-13-21/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,20,22)
InChIKeyIXXRMYCOEFCEHW-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
1-(4-imidazol-1-ylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62097000
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-imidazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 90504343
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-imidazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 90503433
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide
CID 167796631
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146
5-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378536
1-[(E)-N'-hydroxycarbamimidoyl]-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
CID 80597034
N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide (CID 110438464) is 1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide is O=C(NCCCCn1ccnc1)C1(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide?
The InChIKey is IXXRMYCOEFCEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-15-6-2-1-5-14(15)17(7-8-17)16(22)20-9-3-4-11-21-12-10-19-13-21/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,20,22).
What are the key properties of 1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide?
1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110438464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).