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

C17H14ClN3O — CID 66504605

IUPAC(3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCn2c1nc1ccccc12
InChIInChI=1S/C17H14ClN3O/c18-13-6-3-5-12(11-13)16(22)21-10-4-9-20-15-8-2-1-7-14(15)19-17(20)21/h1-3,5-8,11H,4,9-10H2
InChIKeyHYJCQKBGLKERPR-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.74
Rot. Bonds1

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

(3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone (PubChem CID 66504605) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is (3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
PubChem CID66504605
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name(3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCn2c1nc1ccccc12
InChIInChI=1S/C17H14ClN3O/c18-13-6-3-5-12(11-13)16(22)21-10-4-9-20-15-8-2-1-7-14(15)19-17(20)21/h1-3,5-8,11H,4,9-10H2
InChIKeyHYJCQKBGLKERPR-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

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Related Compounds

N-(3-chlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-1-carbothioamide
CID 66504646
(2,4-dichlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 975542
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
CID 791787
1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 155524256
1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
CID 23847688
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 36567968
1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755506
2-[2-[[1-(3-chlorobenzoyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]acetic acid
CID 11633638
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
(3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone
CID 70685998
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 8796896

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone (CID 66504605) is (3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone is O=C(c1cccc(Cl)c1)N1CCCn2c1nc1ccccc12.
What is the InChIKey of (3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
The InChIKey is HYJCQKBGLKERPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-6-3-5-12(11-13)16(22)21-10-4-9-20-15-8-2-1-7-14(15)19-17(20)21/h1-3,5-8,11H,4,9-10H2.
What are the key properties of (3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
(3-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 (3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone is sourced from PubChem (CID 66504605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).