(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone

C17H14ClN3O — CID 66504683

IUPAC(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCCn2c1nc1ccccc12
InChIInChI=1S/C17H14ClN3O/c18-13-7-2-1-6-12(13)16(22)21-11-5-10-20-15-9-4-3-8-14(15)19-17(20)21/h1-4,6-9H,5,10-11H2
InChIKeyUGDIMTRZPJFAAX-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.74
Rot. Bonds1

About (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone

(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone (PubChem CID 66504683) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
PubChem CID66504683
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCCn2c1nc1ccccc12
InChIInChI=1S/C17H14ClN3O/c18-13-7-2-1-6-12(13)16(22)21-11-5-10-20-15-9-4-3-8-14(15)19-17(20)21/h1-4,6-9H,5,10-11H2
InChIKeyUGDIMTRZPJFAAX-UHFFFAOYSA-N
XLogP3.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone 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

(2,4-dichlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 975542
(3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
CID 66504605
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
CID 791787
N-(3-chlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-1-carbothioamide
CID 66504646
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602015
N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 7711105
[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 166188422
N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide
CID 112831960
(2-chlorophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791264
N-(2-methylphenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-1-carbothioamide
CID 66504623
(1-aminocyclopentyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone;hydrochloride
CID 119265439
S-[1-(2-chlorobenzoyl)benzimidazol-2-yl] 2-chlorobenzenecarbothioate
CID 23877965

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone (CID 66504683) is (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone is O=C(c1ccccc1Cl)N1CCCn2c1nc1ccccc12.
What is the InChIKey of (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
The InChIKey is UGDIMTRZPJFAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-7-2-1-6-12(13)16(22)21-11-5-10-20-15-9-4-3-8-14(15)19-17(20)21/h1-4,6-9H,5,10-11H2.
What are the key properties of (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone has a molecular weight of 311.77 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone is sourced from PubChem (CID 66504683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).