3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide

C19H16N4O — CID 118978778

IUPAC3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide
SMILESN#Cc1ccc(-c2ccc(-n3ccnc3)cc2)c(CCC(N)=O)c1
InChIInChI=1S/C19H16N4O/c20-12-14-1-7-18(16(11-14)4-8-19(21)24)15-2-5-17(6-3-15)23-10-9-22-13-23/h1-3,5-7,9-11,13H,4,8H2,(H2,21,24)
InChIKeyXAHZLNOREKORPW-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.83
Rot. Bonds5

About 3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide

3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide (PubChem CID 118978778) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide
PubChem CID118978778
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide
SMILESN#Cc1ccc(-c2ccc(-n3ccnc3)cc2)c(CCC(N)=O)c1
InChIInChI=1S/C19H16N4O/c20-12-14-1-7-18(16(11-14)4-8-19(21)24)15-2-5-17(6-3-15)23-10-9-22-13-23/h1-3,5-7,9-11,13H,4,8H2,(H2,21,24)
InChIKeyXAHZLNOREKORPW-UHFFFAOYSA-N
XLogP2.83
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminopropyl)-4-(4-imidazol-1-ylphenyl)benzonitrile;2-nitropropane
CID 145051173
4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile
CID 118978757
4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile
CID 118978698
3-(3-ethoxypropyl)-4-(4-imidazol-1-ylphenyl)benzonitrile
CID 118978635
N-[3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propyl]propane-2-sulfonamide
CID 118978825
3-[2-(4-cyano-2-methylphenyl)-3-(4-imidazol-1-ylphenyl)pyrrol-1-yl]propanoic acid
CID 67175664
3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile
CID 118978665
3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol
CID 118978677
4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile
CID 118978613
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 56840682
4-(3-amino-5-imidazol-1-yl-2-pyridinyl)benzonitrile
CID 118978663

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide?
The IUPAC name of 3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide (CID 118978778) is 3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide?
The canonical SMILES for 3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide is N#Cc1ccc(-c2ccc(-n3ccnc3)cc2)c(CCC(N)=O)c1.
What is the InChIKey of 3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide?
The InChIKey is XAHZLNOREKORPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-12-14-1-7-18(16(11-14)4-8-19(21)24)15-2-5-17(6-3-15)23-10-9-22-13-23/h1-3,5-7,9-11,13H,4,8H2,(H2,21,24).
What are the key properties of 3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide?
3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide has a molecular weight of 316.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide is sourced from PubChem (CID 118978778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).