3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide

C13H12N4O — CID 67663881

IUPAC3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide
SMILESN#Cc1cccc(C(CC(N)=O)n2ccnc2)c1
InChIInChI=1S/C13H12N4O/c14-8-10-2-1-3-11(6-10)12(7-13(15)18)17-5-4-16-9-17/h1-6,9,12H,7H2,(H2,15,18)
InChIKeyJMOQJGPNVCLYNF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.22
Rot. Bonds4

About 3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide

3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide (PubChem CID 67663881) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide
PubChem CID67663881
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide
SMILESN#Cc1cccc(C(CC(N)=O)n2ccnc2)c1
InChIInChI=1S/C13H12N4O/c14-8-10-2-1-3-11(6-10)12(7-13(15)18)17-5-4-16-9-17/h1-6,9,12H,7H2,(H2,15,18)
InChIKeyJMOQJGPNVCLYNF-UHFFFAOYSA-N
XLogP1.22
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-imidazol-1-ylpropanamide
CID 17461417
N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176832
4-(3-hydroxy-1-imidazol-1-ylpropyl)benzonitrile
CID 18779690
3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile;hydrochloride
CID 91662955
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzonitrile
CID 43773848
4-(1-imidazol-1-ylbutyl)benzonitrile
CID 14514362
2-[1-(3-cyanophenyl)ethylamino]ethylurea
CID 83110158
4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile
CID 14231133
methyl 3-amino-3-(3-cyanophenyl)propanoate
CID 163277397
(E)-3-[3-(1-imidazol-1-ylbutyl)phenyl]prop-2-enoic acid
CID 14514372
3-[(1R)-1-amino-2-hydroxyethyl]benzonitrile
CID 66513688
3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide
CID 118978778

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of 3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide (CID 67663881) is 3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for 3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for 3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide is N#Cc1cccc(C(CC(N)=O)n2ccnc2)c1.
What is the InChIKey of 3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide?
The InChIKey is JMOQJGPNVCLYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-8-10-2-1-3-11(6-10)12(7-13(15)18)17-5-4-16-9-17/h1-6,9,12H,7H2,(H2,15,18).
What are the key properties of 3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide?
3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide has a molecular weight of 240.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 67663881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).