(5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone

C24H13ClF2N2O — CID 155598951

IUPAC(5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)n1c(-c2ccc3ccccc3c2)nc2cc(Cl)ccc21
InChIInChI=1S/C24H13ClF2N2O/c25-18-8-10-22-21(13-18)28-23(16-6-5-14-3-1-2-4-15(14)11-16)29(22)24(30)17-7-9-19(26)20(27)12-17/h1-13H
InChIKeyNQSGHXBJRFYJGU-UHFFFAOYSA-N
MW418.83 g/mol
LogP6.48
Rot. Bonds2

About (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone

(5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone (PubChem CID 155598951) has the molecular formula C24H13ClF2N2O and a molecular weight of 418.83 g/mol. Its IUPAC name is (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone
PubChem CID155598951
Molecular FormulaC24H13ClF2N2O
Molecular Weight418.83 g/mol
Exact Mass418.07
IUPAC Name(5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)n1c(-c2ccc3ccccc3c2)nc2cc(Cl)ccc21
InChIInChI=1S/C24H13ClF2N2O/c25-18-8-10-22-21(13-18)28-23(16-6-5-14-3-1-2-4-15(14)11-16)29(22)24(30)17-7-9-19(26)20(27)12-17/h1-13H
InChIKeyNQSGHXBJRFYJGU-UHFFFAOYSA-N
XLogP6.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.83
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone?
The IUPAC name of (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone (CID 155598951) is (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone.
What is the SMILES notation for (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone?
The canonical SMILES for (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)n1c(-c2ccc3ccccc3c2)nc2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone?
The InChIKey is NQSGHXBJRFYJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF2N2O/c25-18-8-10-22-21(13-18)28-23(16-6-5-14-3-1-2-4-15(14)11-16)29(22)24(30)17-7-9-19(26)20(27)12-17/h1-13H.
What are the key properties of (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone?
(5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone has a molecular weight of 418.83 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-naphthalen-2-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 155598951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).