[4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone

C16H11F3N2O — CID 154245557

IUPAC[4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone
SMILESCc1cccc2c1nc(C(F)(F)F)n2C(=O)c1ccccc1
InChIInChI=1S/C16H11F3N2O/c1-10-6-5-9-12-13(10)20-15(16(17,18)19)21(12)14(22)11-7-3-2-4-8-11/h2-9H,1H3
InChIKeyKHQRTUCYDPUKDB-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.05
Rot. Bonds1

About [4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone

[4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone (PubChem CID 154245557) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is [4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone
PubChem CID154245557
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name[4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone
SMILESCc1cccc2c1nc(C(F)(F)F)n2C(=O)c1ccccc1
InChIInChI=1S/C16H11F3N2O/c1-10-6-5-9-12-13(10)20-15(16(17,18)19)21(12)14(22)11-7-3-2-4-8-11/h2-9H,1H3
InChIKeyKHQRTUCYDPUKDB-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone?
The IUPAC name of [4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone (CID 154245557) is [4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone.
What is the SMILES notation for [4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone?
The canonical SMILES for [4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone is Cc1cccc2c1nc(C(F)(F)F)n2C(=O)c1ccccc1.
What is the InChIKey of [4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone?
The InChIKey is KHQRTUCYDPUKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-10-6-5-9-12-13(10)20-15(16(17,18)19)21(12)14(22)11-7-3-2-4-8-11/h2-9H,1H3.
What are the key properties of [4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone?
[4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone has a molecular weight of 304.27 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(trifluoromethyl)benzimidazol-1-yl]-phenylmethanone is sourced from PubChem (CID 154245557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).