4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole

C15H12F3N3 — CID 56949328

IUPAC4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2CC(F)(F)F
InChIInChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
InChIKeyOFFVLUDFSIUVMI-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.97
Rot. Bonds2

About 4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole

4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole (PubChem CID 56949328) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole.

Molecular Properties

Compound Name4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole
PubChem CID56949328
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2CC(F)(F)F
InChIInChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
InChIKeyOFFVLUDFSIUVMI-UHFFFAOYSA-N
XLogP3.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole?
The IUPAC name of 4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole (CID 56949328) is 4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole.
What is the SMILES notation for 4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole?
The canonical SMILES for 4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole is Cc1ccncc1-c1cccc2c1ncn2CC(F)(F)F.
What is the InChIKey of 4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole?
The InChIKey is OFFVLUDFSIUVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3.
What are the key properties of 4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole?
4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole has a molecular weight of 291.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole is sourced from PubChem (CID 56949328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).