2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole

C24H17N5 — CID 2373893

IUPAC2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
SMILESc1ccc(-c2n[nH]c(-c3c[nH]c4ccccc34)c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H17N5/c1-2-8-15(9-3-1)22-21(24-26-19-12-6-7-13-20(19)27-24)23(29-28-22)17-14-25-18-11-5-4-10-16(17)18/h1-14,25H,(H,26,27)(H,28,29)
InChIKeyQIADUYOIMCLTPV-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.77
Rot. Bonds3

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

2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole (PubChem CID 2373893) has the molecular formula C24H17N5 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
PubChem CID2373893
Molecular FormulaC24H17N5
Molecular Weight375.44 g/mol
Exact Mass375.15
IUPAC Name2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
SMILESc1ccc(-c2n[nH]c(-c3c[nH]c4ccccc34)c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H17N5/c1-2-8-15(9-3-1)22-21(24-26-19-12-6-7-13-20(19)27-24)23(29-28-22)17-14-25-18-11-5-4-10-16(17)18/h1-14,25H,(H,26,27)(H,28,29)
InChIKeyQIADUYOIMCLTPV-UHFFFAOYSA-N
XLogP5.77
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole (CID 2373893) is 2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole is c1ccc(-c2n[nH]c(-c3c[nH]c4ccccc34)c2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
The InChIKey is QIADUYOIMCLTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5/c1-2-8-15(9-3-1)22-21(24-26-19-12-6-7-13-20(19)27-24)23(29-28-22)17-14-25-18-11-5-4-10-16(17)18/h1-14,25H,(H,26,27)(H,28,29).
What are the key properties of 2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole?
2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole has a molecular weight of 375.44 g/mol, XLogP of 5.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 2373893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).