(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone

C24H15ClN2O — CID 164941875

IUPAC(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)n1c(-c2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C24H15ClN2O/c25-18-13-14-22-21(15-18)26-23(17-8-2-1-3-9-17)27(22)24(28)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H
InChIKeyNMLIMNMSHNZNPK-UHFFFAOYSA-N
MW382.85 g/mol
LogP6.20
Rot. Bonds2

About (5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone

(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone (PubChem CID 164941875) has the molecular formula C24H15ClN2O and a molecular weight of 382.85 g/mol. Its IUPAC name is (5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
PubChem CID164941875
Molecular FormulaC24H15ClN2O
Molecular Weight382.85 g/mol
Exact Mass382.09
IUPAC Name(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)n1c(-c2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C24H15ClN2O/c25-18-13-14-22-21(15-18)26-23(17-8-2-1-3-9-17)27(22)24(28)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H
InChIKeyNMLIMNMSHNZNPK-UHFFFAOYSA-N
XLogP6.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7H-Benzimidazo(2,1-a)benz(de)isoquinolin-7-one
CID 90247
10-Cl-BBQ
CID 1778614
2-[2-(5,6-Dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione
CID 11847172
4-[[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 164623411
N-{2-[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]ethyl}-3-methylbenzamide
CID 1293046
(2-Tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 134134298
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]benzamide
CID 875961
(1-Methylbenzimidazol-2-yl)-naphthalen-1-ylmethanone
CID 4411107
N-(1-benzylpiperidin-4-yl)-3-(6-chloro-1H-benzimidazol-2-yl)benzamide
CID 44534657
N-(3-(1H-Benzo[d]imidazol-2-yl)-4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 45484530
(2-Methylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 134131985
[2-(2-Methylpropyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone
CID 134137187

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone (CID 164941875) is (5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)n1c(-c2ccccc2)nc2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is NMLIMNMSHNZNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O/c25-18-13-14-22-21(15-18)26-23(17-8-2-1-3-9-17)27(22)24(28)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H.
What are the key properties of (5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 382.85 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 164941875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).