2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile

C24H17N3O2 — CID 67430776

IUPAC2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile
SMILESCOc1cccc(C(=O)c2cn(-c3cccc(-c4ccccc4C#N)c3)cn2)c1
InChIInChI=1S/C24H17N3O2/c1-29-21-10-5-8-18(13-21)24(28)23-15-27(16-26-23)20-9-4-7-17(12-20)22-11-3-2-6-19(22)14-25/h2-13,15-16H,1H3
InChIKeyKZPFIKYSUIHKKT-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.65
Rot. Bonds5

About 2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile

2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile (PubChem CID 67430776) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile
PubChem CID67430776
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile
SMILESCOc1cccc(C(=O)c2cn(-c3cccc(-c4ccccc4C#N)c3)cn2)c1
InChIInChI=1S/C24H17N3O2/c1-29-21-10-5-8-18(13-21)24(28)23-15-27(16-26-23)20-9-4-7-17(12-20)22-11-3-2-6-19(22)14-25/h2-13,15-16H,1H3
InChIKeyKZPFIKYSUIHKKT-UHFFFAOYSA-N
XLogP4.65
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one
CID 127028415
Methyl 4-[[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzoate
CID 44158379
1-[3-Cyano-4-(3-methoxyphenyl)phenyl]imidazole-4-carboxylic acid
CID 162647609
1-[3-Cyano-4-(4-methoxyphenyl)phenyl]imidazole-4-carboxylic acid
CID 162653630
2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-(3-methyl-3H-imidazole-4-carbonyl)-benzonitrile
CID 11091715
2-(Benzimidazol-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43612594
(2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone
CID 155538741
[2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone
CID 155545580
(E)-3-(4-imidazol-1-ylphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 44517074
(3-Methoxyphenyl)(2-phenyl-1H-imidazol-5-yl)methanone
CID 49788952
1-(3-Methoxyphenyl)-2-(3-phenylimidazol-1-ium-1-yl)ethanone bromide
CID 44313664
Methyl 4-[[3-[(3-methoxyphenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzoate
CID 44583418

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile?
The IUPAC name of 2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile (CID 67430776) is 2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile is COc1cccc(C(=O)c2cn(-c3cccc(-c4ccccc4C#N)c3)cn2)c1.
What is the InChIKey of 2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile?
The InChIKey is KZPFIKYSUIHKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-29-21-10-5-8-18(13-21)24(28)23-15-27(16-26-23)20-9-4-7-17(12-20)22-11-3-2-6-19(22)14-25/h2-13,15-16H,1H3.
What are the key properties of 2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile?
2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile has a molecular weight of 379.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 67430776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).