3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide

C13H12N4O — CID 70138927

IUPAC3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide
SMILESN#Cc1cccc(CCC(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C13H12N4O/c14-9-11-3-1-2-10(8-11)4-5-12(18)17-13-15-6-7-16-13/h1-3,6-8H,4-5H2,(H2,15,16,17,18)
InChIKeyMPWYVBQKBSISHZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.85
Rot. Bonds4

About 3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide

3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide (PubChem CID 70138927) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide
PubChem CID70138927
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide
SMILESN#Cc1cccc(CCC(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C13H12N4O/c14-9-11-3-1-2-10(8-11)4-5-12(18)17-13-15-6-7-16-13/h1-3,6-8H,4-5H2,(H2,15,16,17,18)
InChIKeyMPWYVBQKBSISHZ-UHFFFAOYSA-N
XLogP1.85
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
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N-(1H-imidazol-2-yl)-3-pyridin-2-ylpropanamide
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3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 60966650
3-(3-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
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2-chloro-6-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]benzamide
CID 173125449
N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
CID 112695684
4-(3-cyanophenyl)-2-methylidenebutanoic acid
CID 68515092
N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
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3-(2-hydroxyethyl)benzonitrile
CID 14926727
N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
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CID 39500255

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide?
The IUPAC name of 3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide (CID 70138927) is 3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for 3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide is N#Cc1cccc(CCC(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of 3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide?
The InChIKey is MPWYVBQKBSISHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-9-11-3-1-2-10(8-11)4-5-12(18)17-13-15-6-7-16-13/h1-3,6-8H,4-5H2,(H2,15,16,17,18).
What are the key properties of 3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide?
3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide has a molecular weight of 240.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-N-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 70138927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).