1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole

C17H14N4 — CID 4549368

IUPAC1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole
SMILESCn1nc(-c2ccccc2)cc1-n1cnc2ccccc21
InChIInChI=1S/C17H14N4/c1-20-17(11-15(19-20)13-7-3-2-4-8-13)21-12-18-14-9-5-6-10-16(14)21/h2-12H,1H3
InChIKeyWWNBRFVJMPAXGW-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.43
Rot. Bonds2

About 1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole

1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole (PubChem CID 4549368) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole.

Molecular Properties

Compound Name1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole
PubChem CID4549368
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole
SMILESCn1nc(-c2ccccc2)cc1-n1cnc2ccccc21
InChIInChI=1S/C17H14N4/c1-20-17(11-15(19-20)13-7-3-2-4-8-13)21-12-18-14-9-5-6-10-16(14)21/h2-12H,1H3
InChIKeyWWNBRFVJMPAXGW-UHFFFAOYSA-N
XLogP3.43
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole?
The IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole (CID 4549368) is 1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole.
What is the SMILES notation for 1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole?
The canonical SMILES for 1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole is Cn1nc(-c2ccccc2)cc1-n1cnc2ccccc21.
What is the InChIKey of 1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole?
The InChIKey is WWNBRFVJMPAXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-20-17(11-15(19-20)13-7-3-2-4-8-13)21-12-18-14-9-5-6-10-16(14)21/h2-12H,1H3.
What are the key properties of 1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole?
1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole has a molecular weight of 274.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-phenylpyrazol-5-yl)benzimidazole is sourced from PubChem (CID 4549368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).