1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole

C19H19F3N2 — CID 46309907

IUPAC1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
SMILESCCC(C)n1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H19F3N2/c1-4-13(3)24-17-10-9-14(19(20,21)22)11-16(17)23-18(24)15-8-6-5-7-12(15)2/h5-11,13H,4H2,1-3H3
InChIKeyQMAJNYQUZZRXHT-UHFFFAOYSA-N
MW332.37 g/mol
LogP6.00
Rot. Bonds3

About 1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole

1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 46309907) has the molecular formula C19H19F3N2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
PubChem CID46309907
Molecular FormulaC19H19F3N2
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
SMILESCCC(C)n1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H19F3N2/c1-4-13(3)24-17-10-9-14(19(20,21)22)11-16(17)23-18(24)15-8-6-5-7-12(15)2/h5-11,13H,4H2,1-3H3
InChIKeyQMAJNYQUZZRXHT-UHFFFAOYSA-N
XLogP6.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole (CID 46309907) is 1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole is CCC(C)n1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is QMAJNYQUZZRXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2/c1-4-13(3)24-17-10-9-14(19(20,21)22)11-16(17)23-18(24)15-8-6-5-7-12(15)2/h5-11,13H,4H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole?
1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 332.37 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46309907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).