3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H14ClN3O — CID 110742341

IUPAC3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C17H14ClN3O/c18-13-4-6-16-11(8-13)2-1-7-21(16)17(22)12-3-5-14-15(9-12)20-10-19-14/h3-6,8-10H,1-2,7H2,(H,19,20)
InChIKeyVLRYDIJXOHNSLL-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.81
Rot. Bonds1

About 3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone

3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110742341) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110742341
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C17H14ClN3O/c18-13-4-6-16-11(8-13)2-1-7-21(16)17(22)12-3-5-14-15(9-12)20-10-19-14/h3-6,8-10H,1-2,7H2,(H,19,20)
InChIKeyVLRYDIJXOHNSLL-UHFFFAOYSA-N
XLogP3.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
CID 110742263
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
3H-benzimidazol-5-yl-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 2472782
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
3H-benzimidazol-5-yl-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone
CID 27808577
N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108885802
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230
[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid
CID 155093178
N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086775
4-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 39137440
3H-benzimidazol-5-yl-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26866142

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110742341) is 3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc2nc[nH]c2c1)N1CCCc2cc(Cl)ccc21.
What is the InChIKey of 3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is VLRYDIJXOHNSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-4-6-16-11(8-13)2-1-7-21(16)17(22)12-3-5-14-15(9-12)20-10-19-14/h3-6,8-10H,1-2,7H2,(H,19,20).
What are the key properties of 3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone?
3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 311.77 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110742341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).