1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole

C23H17ClN4 — CID 58349870

IUPAC1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole
SMILESCc1ccc(Cl)cc1-c1cccc(-n2cnc3cc(-c4ccn[nH]4)ccc32)c1
InChIInChI=1S/C23H17ClN4/c1-15-5-7-18(24)13-20(15)16-3-2-4-19(11-16)28-14-25-22-12-17(6-8-23(22)28)21-9-10-26-27-21/h2-14H,1H3,(H,26,27)
InChIKeyISDMILHHKMWHCP-UHFFFAOYSA-N
MW384.87 g/mol
LogP6.04
Rot. Bonds3

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

1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole (PubChem CID 58349870) has the molecular formula C23H17ClN4 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole.

Molecular Properties

Compound Name1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole
PubChem CID58349870
Molecular FormulaC23H17ClN4
Molecular Weight384.87 g/mol
Exact Mass384.11
IUPAC Name1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole
SMILESCc1ccc(Cl)cc1-c1cccc(-n2cnc3cc(-c4ccn[nH]4)ccc32)c1
InChIInChI=1S/C23H17ClN4/c1-15-5-7-18(24)13-20(15)16-3-2-4-19(11-16)28-14-25-22-12-17(6-8-23(22)28)21-9-10-26-27-21/h2-14H,1H3,(H,26,27)
InChIKeyISDMILHHKMWHCP-UHFFFAOYSA-N
XLogP6.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole?
The IUPAC name of 1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole (CID 58349870) is 1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole.
What is the SMILES notation for 1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole?
The canonical SMILES for 1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole is Cc1ccc(Cl)cc1-c1cccc(-n2cnc3cc(-c4ccn[nH]4)ccc32)c1.
What is the InChIKey of 1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole?
The InChIKey is ISDMILHHKMWHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4/c1-15-5-7-18(24)13-20(15)16-3-2-4-19(11-16)28-14-25-22-12-17(6-8-23(22)28)21-9-10-26-27-21/h2-14H,1H3,(H,26,27).
What are the key properties of 1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole?
1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole has a molecular weight of 384.87 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole is sourced from PubChem (CID 58349870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).