7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one

C18H16ClN3O — CID 19938590

IUPAC7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2cc(-c3nc4ccc(Cl)cc4[nH]3)ccc21
InChIInChI=1S/C18H16ClN3O/c1-18(2)9-16(23)20-14-7-10(3-5-12(14)18)17-21-13-6-4-11(19)8-15(13)22-17/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyKBNYGCCYDKWJGB-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.50
Rot. Bonds1

About 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one

7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one (PubChem CID 19938590) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
PubChem CID19938590
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2cc(-c3nc4ccc(Cl)cc4[nH]3)ccc21
InChIInChI=1S/C18H16ClN3O/c1-18(2)9-16(23)20-14-7-10(3-5-12(14)18)17-21-13-6-4-11(19)8-15(13)22-17/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyKBNYGCCYDKWJGB-UHFFFAOYSA-N
XLogP4.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-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

2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 19896776
2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 19896841
4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid
CID 19896803
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 19896862
2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
CID 136837284
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole
CID 104786095
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one (CID 19938590) is 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one is CC1(C)CC(=O)Nc2cc(-c3nc4ccc(Cl)cc4[nH]3)ccc21.
What is the InChIKey of 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The InChIKey is KBNYGCCYDKWJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-18(2)9-16(23)20-14-7-10(3-5-12(14)18)17-21-13-6-4-11(19)8-15(13)22-17/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one?
7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one has a molecular weight of 325.80 g/mol, XLogP of 4.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-1H-benzimidazol-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 19938590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).