1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole

C14H10F3N3 — CID 66614356

IUPAC1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
SMILESCn1c(-c2ccncc2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H10F3N3/c1-20-12-8-10(14(15,16)17)2-3-11(12)19-13(20)9-4-6-18-7-5-9/h2-8H,1H3
InChIKeyDLPAJWIOIKDXNY-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.65
Rot. Bonds1

About 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole

1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole (PubChem CID 66614356) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
PubChem CID66614356
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
SMILESCn1c(-c2ccncc2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H10F3N3/c1-20-12-8-10(14(15,16)17)2-3-11(12)19-13(20)9-4-6-18-7-5-9/h2-8H,1H3
InChIKeyDLPAJWIOIKDXNY-UHFFFAOYSA-N
XLogP3.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole (CID 66614356) is 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole is Cn1c(-c2ccncc2)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole?
The InChIKey is DLPAJWIOIKDXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c1-20-12-8-10(14(15,16)17)2-3-11(12)19-13(20)9-4-6-18-7-5-9/h2-8H,1H3.
What are the key properties of 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole?
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole has a molecular weight of 277.25 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 66614356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).