N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide

C13H12N4O — CID 43176830

IUPACN-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)n1ccnc1
InChIInChI=1S/C13H12N4O/c1-10(17-7-6-15-9-17)13(18)16-12-4-2-11(8-14)3-5-12/h2-7,9-10H,1H3,(H,16,18)
InChIKeyCQBCJDFVVJSOHH-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.95
Rot. Bonds3

About N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide

N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide (PubChem CID 43176830) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
PubChem CID43176830
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)n1ccnc1
InChIInChI=1S/C13H12N4O/c1-10(17-7-6-15-9-17)13(18)16-12-4-2-11(8-14)3-5-12/h2-7,9-10H,1H3,(H,16,18)
InChIKeyCQBCJDFVVJSOHH-UHFFFAOYSA-N
XLogP1.95
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176832
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
CID 45153765
2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide
CID 47054929
(2R)-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide
CID 94441337
(2R)-2-imidazol-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 94068119
(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 2657138
N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide
CID 95777975
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide?
The IUPAC name of N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide (CID 43176830) is N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide is CC(C(=O)Nc1ccc(C#N)cc1)n1ccnc1.
What is the InChIKey of N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide?
The InChIKey is CQBCJDFVVJSOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-10(17-7-6-15-9-17)13(18)16-12-4-2-11(8-14)3-5-12/h2-7,9-10H,1H3,(H,16,18).
What are the key properties of N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide?
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide has a molecular weight of 240.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 43176830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).