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

C25H22N4 — CID 135875994

IUPAC2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole
SMILESCc1ccc(Cn2nc(-c3nc4ccc(-c5ccccc5)cc4[nH]3)cc2C)cc1
InChIInChI=1S/C25H22N4/c1-17-8-10-19(11-9-17)16-29-18(2)14-24(28-29)25-26-22-13-12-21(15-23(22)27-25)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,26,27)
InChIKeyZEALQUAFHBOWCV-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.76
Rot. Bonds4

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

2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole (PubChem CID 135875994) has the molecular formula C25H22N4 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole
PubChem CID135875994
Molecular FormulaC25H22N4
Molecular Weight378.48 g/mol
Exact Mass378.18
IUPAC Name2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole
SMILESCc1ccc(Cn2nc(-c3nc4ccc(-c5ccccc5)cc4[nH]3)cc2C)cc1
InChIInChI=1S/C25H22N4/c1-17-8-10-19(11-9-17)16-29-18(2)14-24(28-29)25-26-22-13-12-21(15-23(22)27-25)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,26,27)
InChIKeyZEALQUAFHBOWCV-UHFFFAOYSA-N
XLogP5.76
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-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

Related Compounds

2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 135875995
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-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563
6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
CID 14518404
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole
CID 135875998
N-benzyl-N-ethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 110536430
2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile
CID 135988762
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole?
The IUPAC name of 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole (CID 135875994) is 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole.
What is the SMILES notation for 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole?
The canonical SMILES for 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole is Cc1ccc(Cn2nc(-c3nc4ccc(-c5ccccc5)cc4[nH]3)cc2C)cc1.
What is the InChIKey of 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole?
The InChIKey is ZEALQUAFHBOWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4/c1-17-8-10-19(11-9-17)16-29-18(2)14-24(28-29)25-26-22-13-12-21(15-23(22)27-25)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,26,27).
What are the key properties of 2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole?
2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole has a molecular weight of 378.48 g/mol, XLogP of 5.76, 4 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-phenyl-1H-benzimidazole is sourced from PubChem (CID 135875994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).