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

C16H13F3N2O2 — CID 10041787

IUPAC4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccccc1-n1c(C(F)(F)F)nc2c(OC)cccc21
InChIInChI=1S/C16H13F3N2O2/c1-22-12-8-4-3-6-10(12)21-11-7-5-9-13(23-2)14(11)20-15(21)16(17,18)19/h3-9H,1-2H3
InChIKeyYRUGNMLRBFPWGU-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.06
Rot. Bonds3

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

4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole (PubChem CID 10041787) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole
PubChem CID10041787
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccccc1-n1c(C(F)(F)F)nc2c(OC)cccc21
InChIInChI=1S/C16H13F3N2O2/c1-22-12-8-4-3-6-10(12)21-11-7-5-9-13(23-2)14(11)20-15(21)16(17,18)19/h3-9H,1-2H3
InChIKeyYRUGNMLRBFPWGU-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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole (CID 10041787) is 4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole is COc1ccccc1-n1c(C(F)(F)F)nc2c(OC)cccc21.
What is the InChIKey of 4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
The InChIKey is YRUGNMLRBFPWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-22-12-8-4-3-6-10(12)21-11-7-5-9-13(23-2)14(11)20-15(21)16(17,18)19/h3-9H,1-2H3.
What are the key properties of 4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
4-methoxy-1-(2-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 4-methoxy-1-(2-methoxyphenyl)-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 10041787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).