(3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone

C25H16F2N2O — CID 167572036

IUPAC(3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone
SMILESCc1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C25H16F2N2O/c1-15-9-12-22-23(13-15)29(25(30)17-10-11-20(26)21(27)14-17)24(28-22)19-8-4-6-16-5-2-3-7-18(16)19/h2-14H,1H3
InChIKeyXGINPLQBUUDEQS-UHFFFAOYSA-N
MW398.41 g/mol
LogP6.13
Rot. Bonds2

About (3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone

(3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone (PubChem CID 167572036) has the molecular formula C25H16F2N2O and a molecular weight of 398.41 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone
PubChem CID167572036
Molecular FormulaC25H16F2N2O
Molecular Weight398.41 g/mol
Exact Mass398.12
IUPAC Name(3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone
SMILESCc1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C25H16F2N2O/c1-15-9-12-22-23(13-15)29(25(30)17-10-11-20(26)21(27)14-17)24(28-22)19-8-4-6-16-5-2-3-7-18(16)19/h2-14H,1H3
InChIKeyXGINPLQBUUDEQS-UHFFFAOYSA-N
XLogP6.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone (CID 167572036) is (3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone is Cc1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(F)c(F)c3)c2c1.
What is the InChIKey of (3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone?
The InChIKey is XGINPLQBUUDEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N2O/c1-15-9-12-22-23(13-15)29(25(30)17-10-11-20(26)21(27)14-17)24(28-22)19-8-4-6-16-5-2-3-7-18(16)19/h2-14H,1H3.
What are the key properties of (3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone?
(3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone has a molecular weight of 398.41 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone is sourced from PubChem (CID 167572036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).