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

C24H13ClF2N2O — CID 155599040

IUPAC(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21
InChIInChI=1S/C24H13ClF2N2O/c25-15-8-11-22-21(12-15)28-23(18-7-3-5-14-4-1-2-6-17(14)18)29(22)24(30)19-10-9-16(26)13-20(19)27/h1-13H
InChIKeyBQTYFVQRRLOUHQ-UHFFFAOYSA-N
MW418.83 g/mol
LogP6.48
Rot. Bonds2

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

(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone (PubChem CID 155599040) has the molecular formula C24H13ClF2N2O and a molecular weight of 418.83 g/mol. Its IUPAC name is (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone
PubChem CID155599040
Molecular FormulaC24H13ClF2N2O
Molecular Weight418.83 g/mol
Exact Mass418.07
IUPAC Name(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21
InChIInChI=1S/C24H13ClF2N2O/c25-15-8-11-22-21(12-15)28-23(18-7-3-5-14-4-1-2-6-17(14)18)29(22)24(30)19-10-9-16(26)13-20(19)27/h1-13H
InChIKeyBQTYFVQRRLOUHQ-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

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone (CID 155599040) is (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone is O=C(c1ccc(F)cc1F)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone?
The InChIKey is BQTYFVQRRLOUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF2N2O/c25-15-8-11-22-21(12-15)28-23(18-7-3-5-14-4-1-2-6-17(14)18)29(22)24(30)19-10-9-16(26)13-20(19)27/h1-13H.
What are the key properties of (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone?
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-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-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 155599040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).