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

C25H21ClN4 — CID 135876029

IUPAC6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole
SMILESCc1ccc(Cn2nc(-c3nc4ccc(-c5ccc(Cl)cc5)cc4[nH]3)cc2C)cc1
InChIInChI=1S/C25H21ClN4/c1-16-3-5-18(6-4-16)15-30-17(2)13-24(29-30)25-27-22-12-9-20(14-23(22)28-25)19-7-10-21(26)11-8-19/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyZABGYSAZFSNLAY-UHFFFAOYSA-N
MW412.92 g/mol
LogP6.41
Rot. Bonds4

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

6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole (PubChem CID 135876029) has the molecular formula C25H21ClN4 and a molecular weight of 412.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole
PubChem CID135876029
Molecular FormulaC25H21ClN4
Molecular Weight412.92 g/mol
Exact Mass412.15
IUPAC Name6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole
SMILESCc1ccc(Cn2nc(-c3nc4ccc(-c5ccc(Cl)cc5)cc4[nH]3)cc2C)cc1
InChIInChI=1S/C25H21ClN4/c1-16-3-5-18(6-4-16)15-30-17(2)13-24(29-30)25-27-22-12-9-20(14-23(22)28-25)19-7-10-21(26)11-8-19/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyZABGYSAZFSNLAY-UHFFFAOYSA-N
XLogP6.41
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-{3-[7-(4-Methylpiperazin-1-Yl)-1h-Benzimidazol-2-Yl]-1h-Indazol-6-Yl}aniline
CID 135566451
Indazole-benzimidazole, 11
CID 135928478
Indazole-benzimidazole, 15
CID 135928482
(4-(3-(4-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazol-6-yl)phenyl)methanamine
CID 135928480
2-(3,5-Diphenyl-1H-pyrazol-4-yl)-1H-benzoimidazole
CID 821749
2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 10115148
2-(4-tert-butylphenyl)-4-(4-((1,3,5-trimethyl-1H-pyrazol-4-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11518185
2-(4-tert-butylphenyl)-4-(4-((5-ethyl-1-methyl-1H-pyrazol-3-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11525358
2-(4-tert-butylphenyl)-4-(4-((3-ethyl-1-methyl-1H-pyrazol-5-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11619461
1-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-methylphenyl)methyl]urea
CID 24764957
2-(4-tert-butylphenyl)-4-(4-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 44573713
2-(4-tert-butylphenyl)-4-(4-((3,5-dimethyl-1H-pyrazol-4-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 44573714

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole?
The IUPAC name of 6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole (CID 135876029) is 6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole is Cc1ccc(Cn2nc(-c3nc4ccc(-c5ccc(Cl)cc5)cc4[nH]3)cc2C)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole?
The InChIKey is ZABGYSAZFSNLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4/c1-16-3-5-18(6-4-16)15-30-17(2)13-24(29-30)25-27-22-12-9-20(14-23(22)28-25)19-7-10-21(26)11-8-19/h3-14H,15H2,1-2H3,(H,27,28).
What are the key properties of 6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole?
6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole has a molecular weight of 412.92 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole is sourced from PubChem (CID 135876029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).