1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole

C16H10F6N2O — CID 164670442

IUPAC1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C16H10F6N2O/c1-25-11-5-3-10(4-6-11)24-13-7-2-9(15(17,18)19)8-12(13)23-14(24)16(20,21)22/h2-8H,1H3
InChIKeySNZWJOQATSMLMX-UHFFFAOYSA-N
MW360.26 g/mol
LogP5.07
Rot. Bonds2

About 1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole

1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole (PubChem CID 164670442) has the molecular formula C16H10F6N2O and a molecular weight of 360.26 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole
PubChem CID164670442
Molecular FormulaC16H10F6N2O
Molecular Weight360.26 g/mol
Exact Mass360.07
IUPAC Name1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C16H10F6N2O/c1-25-11-5-3-10(4-6-11)24-13-7-2-9(15(17,18)19)8-12(13)23-14(24)16(20,21)22/h2-8H,1H3
InChIKeySNZWJOQATSMLMX-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.26
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
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1,6-Bis(4-propan-2-yloxyphenyl)benzimidazole
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1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole (CID 164670442) is 1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole is COc1ccc(-n2c(C(F)(F)F)nc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole?
The InChIKey is SNZWJOQATSMLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O/c1-25-11-5-3-10(4-6-11)24-13-7-2-9(15(17,18)19)8-12(13)23-14(24)16(20,21)22/h2-8H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole?
1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole has a molecular weight of 360.26 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,5-bis(trifluoromethyl)benzimidazole is sourced from PubChem (CID 164670442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).