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

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Related Compounds

2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole
CID 135875994
2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135876003
6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole
CID 135876004
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455824
6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909124
[4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 162662664
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536
1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524498

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).