5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one

C20H17ClN4O — CID 165414858

IUPAC5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one
SMILESCn1cc(-c2ccccc2)nc1CCC1=NC(=O)C2C(Cl)=CC=CC2=N1
InChIInChI=1S/C20H17ClN4O/c1-25-12-16(13-6-3-2-4-7-13)23-18(25)11-10-17-22-15-9-5-8-14(21)19(15)20(26)24-17/h2-9,12,19H,10-11H2,1H3
InChIKeyKBNISAPFGRGYHP-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.71
Rot. Bonds4

About 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one

5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one (PubChem CID 165414858) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one
PubChem CID165414858
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one
SMILESCn1cc(-c2ccccc2)nc1CCC1=NC(=O)C2C(Cl)=CC=CC2=N1
InChIInChI=1S/C20H17ClN4O/c1-25-12-16(13-6-3-2-4-7-13)23-18(25)11-10-17-22-15-9-5-8-14(21)19(15)20(26)24-17/h2-9,12,19H,10-11H2,1H3
InChIKeyKBNISAPFGRGYHP-UHFFFAOYSA-N
XLogP3.71
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Saripidem
CID 3058746
2-(4-Chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
CID 77846095
N-acetyl-N-(4-phenyl-1-{[(E)-phenylmethylidene]amino}-1H-imidazol-2-yl)acetamide
CID 9557161
N,N-dimethyl-7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptanamide
CID 25190475
12-Butanoyl-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 10893600
12-Ethyl-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11001453
8-Butyl-2-(2-fluoro-phenyl)-6,7,8,9-tetrahydro-5H-1,3a,5,8-tetraaza-cyclopenta[a]naphthalen-4-one
CID 11035207
2-(2-Fluoro-phenyl)-8-propionyl-6,7,8,9-tetrahydro-5H-1,3a,5,8-tetraaza-cyclopenta[a]naphthalen-4-one
CID 11067772
12-Acetyl-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11809547
N-(4-chlorobutyl)-N-methyl-4-phenyl-1H-imidazole-1-carboxamide
CID 44252357
2-(4-Chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one
CID 78426252
N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 118450691

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one?
The IUPAC name of 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one (CID 165414858) is 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one?
The canonical SMILES for 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one is Cn1cc(-c2ccccc2)nc1CCC1=NC(=O)C2C(Cl)=CC=CC2=N1.
What is the InChIKey of 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one?
The InChIKey is KBNISAPFGRGYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-25-12-16(13-6-3-2-4-7-13)23-18(25)11-10-17-22-15-9-5-8-14(21)19(15)20(26)24-17/h2-9,12,19H,10-11H2,1H3.
What are the key properties of 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one?
5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one has a molecular weight of 364.84 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-4aH-quinazolin-4-one is sourced from PubChem (CID 165414858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).