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

C25H28N4 — CID 135876004

IUPAC6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole
SMILESCc1ccc(Cn2nc(-c3nc4ccc(C5CCCCC5)cc4[nH]3)cc2C)cc1
InChIInChI=1S/C25H28N4/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/h8-15,20H,3-7,16H2,1-2H3,(H,26,27)
InChIKeyUSDCXGHIWXABQE-UHFFFAOYSA-N
MW384.53 g/mol
LogP6.14
Rot. Bonds4

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

6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole (PubChem CID 135876004) has the molecular formula C25H28N4 and a molecular weight of 384.53 g/mol. Its IUPAC name is 6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole
PubChem CID135876004
Molecular FormulaC25H28N4
Molecular Weight384.53 g/mol
Exact Mass384.23
IUPAC Name6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole
SMILESCc1ccc(Cn2nc(-c3nc4ccc(C5CCCCC5)cc4[nH]3)cc2C)cc1
InChIInChI=1S/C25H28N4/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/h8-15,20H,3-7,16H2,1-2H3,(H,26,27)
InChIKeyUSDCXGHIWXABQE-UHFFFAOYSA-N
XLogP6.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 56.14
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-(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-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole
CID 3007943
N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213157
6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole
CID 135875998
3-(4-butylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclohexylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-(4-cyclopentylphenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 159762336
[2-(dicyclohexylamino)-2-oxoethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23943749
N-(6-cyclohexyl-1H-benzimidazol-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67290328
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole?
The IUPAC name of 6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole (CID 135876004) is 6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole is Cc1ccc(Cn2nc(-c3nc4ccc(C5CCCCC5)cc4[nH]3)cc2C)cc1.
What is the InChIKey of 6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole?
The InChIKey is USDCXGHIWXABQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4/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/h8-15,20H,3-7,16H2,1-2H3,(H,26,27).
What are the key properties of 6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole?
6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole has a molecular weight of 384.53 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole is sourced from PubChem (CID 135876004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).