N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide

C13H13N3O — CID 47215374

IUPACN-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)C1CC1
InChIInChI=1S/C13H13N3O/c17-13(10-4-5-10)15-11-2-1-3-12(8-11)16-7-6-14-9-16/h1-3,6-10H,4-5H2,(H,15,17)
InChIKeyOJVJTMDGBPNAGX-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.22
Rot. Bonds3

About N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide

N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide (PubChem CID 47215374) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
PubChem CID47215374
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)C1CC1
InChIInChI=1S/C13H13N3O/c17-13(10-4-5-10)15-11-2-1-3-12(8-11)16-7-6-14-9-16/h1-3,6-10H,4-5H2,(H,15,17)
InChIKeyOJVJTMDGBPNAGX-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 64825093
2-amino-2-cyclopropyl-N-(3-imidazol-1-ylphenyl)propanamide
CID 60868425
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 51095447
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide
CID 155963940
N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119857085
6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
CID 62235091
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392
3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010193
6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 103337237

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide (CID 47215374) is N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide is O=C(Nc1cccc(-n2ccnc2)c1)C1CC1.
What is the InChIKey of N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide?
The InChIKey is OJVJTMDGBPNAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13(10-4-5-10)15-11-2-1-3-12(8-11)16-7-6-14-9-16/h1-3,6-10H,4-5H2,(H,15,17).
What are the key properties of N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide?
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide has a molecular weight of 227.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 47215374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).