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

C16H13F3N2O2 — CID 10471357

IUPAC5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3cc(OC)ccc32)cc1
InChIInChI=1S/C16H13F3N2O2/c1-22-11-5-3-10(4-6-11)21-14-8-7-12(23-2)9-13(14)20-15(21)16(17,18)19/h3-9H,1-2H3
InChIKeySWUOUKJDXNCBEO-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.06
Rot. Bonds3

About 5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole

5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole (PubChem CID 10471357) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole
PubChem CID10471357
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3cc(OC)ccc32)cc1
InChIInChI=1S/C16H13F3N2O2/c1-22-11-5-3-10(4-6-11)21-14-8-7-12(23-2)9-13(14)20-15(21)16(17,18)19/h3-9H,1-2H3
InChIKeySWUOUKJDXNCBEO-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 5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole (CID 10471357) is 5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(C(F)(F)F)nc3cc(OC)ccc32)cc1.
What is the InChIKey of 5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
The InChIKey is SWUOUKJDXNCBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-22-11-5-3-10(4-6-11)21-14-8-7-12(23-2)9-13(14)20-15(21)16(17,18)19/h3-9H,1-2H3.
What are the key properties of 5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole?
5-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 5-methoxy-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 10471357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).