6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole

C16H13F3N2O2 — CID 10381437

IUPAC6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3ccc(OC)cc32)cc1
InChIInChI=1S/C16H13F3N2O2/c1-22-11-5-3-10(4-6-11)21-14-9-12(23-2)7-8-13(14)20-15(21)16(17,18)19/h3-9H,1-2H3
InChIKeyYMKHTTTWERYURE-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.06
Rot. Bonds3

About 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole

6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole (PubChem CID 10381437) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole
PubChem CID10381437
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3ccc(OC)cc32)cc1
InChIInChI=1S/C16H13F3N2O2/c1-22-11-5-3-10(4-6-11)21-14-9-12(23-2)7-8-13(14)20-15(21)16(17,18)19/h3-9H,1-2H3
InChIKeyYMKHTTTWERYURE-UHFFFAOYSA-N
XLogP4.06
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole 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 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole (CID 10381437) is 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(C(F)(F)F)nc3ccc(OC)cc32)cc1.
What is the InChIKey of 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
The InChIKey is YMKHTTTWERYURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-22-11-5-3-10(4-6-11)21-14-9-12(23-2)7-8-13(14)20-15(21)16(17,18)19/h3-9H,1-2H3.
What are the key properties of 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole has a molecular weight of 322.29 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 10381437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).