1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide

C16H16N4O — CID 167980158

IUPAC1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3(C#N)CC3)cc2)c1C
InChIInChI=1S/C16H16N4O/c1-11-12(2)20(10-18-11)14-5-3-13(4-6-14)19-15(21)16(9-17)7-8-16/h3-6,10H,7-8H2,1-2H3,(H,19,21)
InChIKeyAYMOVRJWYSEAER-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.73
Rot. Bonds3

About 1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide

1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 167980158) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID167980158
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3(C#N)CC3)cc2)c1C
InChIInChI=1S/C16H16N4O/c1-11-12(2)20(10-18-11)14-5-3-13(4-6-14)19-15(21)16(9-17)7-8-16/h3-6,10H,7-8H2,1-2H3,(H,19,21)
InChIKeyAYMOVRJWYSEAER-UHFFFAOYSA-N
XLogP2.73
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166197115
1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide
CID 167848155
1-amino-3-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclobutane-1-carboxamide
CID 166299186
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide
CID 167873075
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
cis-(1S,2S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-fluoro-2-phenylcyclopropane-1-carboxamide
CID 166350083
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrole-3a-carboxamide
CID 167809894
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide (CID 167980158) is 1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide is Cc1ncn(-c2ccc(NC(=O)C3(C#N)CC3)cc2)c1C.
What is the InChIKey of 1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is AYMOVRJWYSEAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-12(2)20(10-18-11)14-5-3-13(4-6-14)19-15(21)16(9-17)7-8-16/h3-6,10H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide?
1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167980158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).