5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole

C19H12ClF3N2O — CID 46838556

IUPAC5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2cc(Cl)c(Oc3cccc4ccccc34)cc21
InChIInChI=1S/C19H12ClF3N2O/c1-25-15-10-17(13(20)9-14(15)24-18(25)19(21,22)23)26-16-8-4-6-11-5-2-3-7-12(11)16/h2-10H,1H3
InChIKeyZIIIFMHJPGJBMS-UHFFFAOYSA-N
MW376.77 g/mol
LogP6.19
Rot. Bonds2

About 5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole

5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole (PubChem CID 46838556) has the molecular formula C19H12ClF3N2O and a molecular weight of 376.77 g/mol. Its IUPAC name is 5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole
PubChem CID46838556
Molecular FormulaC19H12ClF3N2O
Molecular Weight376.77 g/mol
Exact Mass376.06
IUPAC Name5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2cc(Cl)c(Oc3cccc4ccccc34)cc21
InChIInChI=1S/C19H12ClF3N2O/c1-25-15-10-17(13(20)9-14(15)24-18(25)19(21,22)23)26-16-8-4-6-11-5-2-3-7-12(11)16/h2-10H,1H3
InChIKeyZIIIFMHJPGJBMS-UHFFFAOYSA-N
XLogP6.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.77
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole (CID 46838556) is 5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole is Cn1c(C(F)(F)F)nc2cc(Cl)c(Oc3cccc4ccccc34)cc21.
What is the InChIKey of 5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole?
The InChIKey is ZIIIFMHJPGJBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O/c1-25-15-10-17(13(20)9-14(15)24-18(25)19(21,22)23)26-16-8-4-6-11-5-2-3-7-12(11)16/h2-10H,1H3.
What are the key properties of 5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole?
5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole has a molecular weight of 376.77 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-6-naphthalen-1-yloxy-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46838556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).