2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole

C20H17F3N4 — CID 135875995

IUPAC2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCc1ccc(Cn2nc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2C)cc1
InChIInChI=1S/C20H17F3N4/c1-12-3-5-14(6-4-12)11-27-13(2)9-18(26-27)19-24-16-8-7-15(20(21,22)23)10-17(16)25-19/h3-10H,11H2,1-2H3,(H,24,25)
InChIKeyNLSLFXANEOAYEB-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.11
Rot. Bonds3

About 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole

2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 135875995) has the molecular formula C20H17F3N4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID135875995
Molecular FormulaC20H17F3N4
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCc1ccc(Cn2nc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2C)cc1
InChIInChI=1S/C20H17F3N4/c1-12-3-5-14(6-4-12)11-27-13(2)9-18(26-27)19-24-16-8-7-15(20(21,22)23)10-17(16)25-19/h3-10H,11H2,1-2H3,(H,24,25)
InChIKeyNLSLFXANEOAYEB-UHFFFAOYSA-N
XLogP5.11
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole (CID 135875995) is 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole is Cc1ccc(Cn2nc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2C)cc1.
What is the InChIKey of 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is NLSLFXANEOAYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4/c1-12-3-5-14(6-4-12)11-27-13(2)9-18(26-27)19-24-16-8-7-15(20(21,22)23)10-17(16)25-19/h3-10H,11H2,1-2H3,(H,24,25).
What are the key properties of 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 370.38 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 135875995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).