1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole

C18H16N4 — CID 8005690

IUPAC1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole
SMILESCn1cc(-c2nc3ccccc3n2C)c(-c2ccccc2)n1
InChIInChI=1S/C18H16N4/c1-21-12-14(17(20-21)13-8-4-3-5-9-13)18-19-15-10-6-7-11-16(15)22(18)2/h3-12H,1-2H3
InChIKeyYSISLADEWSMKEV-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.64
Rot. Bonds2

About 1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole

1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole (PubChem CID 8005690) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole
PubChem CID8005690
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole
SMILESCn1cc(-c2nc3ccccc3n2C)c(-c2ccccc2)n1
InChIInChI=1S/C18H16N4/c1-21-12-14(17(20-21)13-8-4-3-5-9-13)18-19-15-10-6-7-11-16(15)22(18)2/h3-12H,1-2H3
InChIKeyYSISLADEWSMKEV-UHFFFAOYSA-N
XLogP3.64
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole?
The IUPAC name of 1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole (CID 8005690) is 1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole?
The canonical SMILES for 1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole is Cn1cc(-c2nc3ccccc3n2C)c(-c2ccccc2)n1.
What is the InChIKey of 1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole?
The InChIKey is YSISLADEWSMKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-21-12-14(17(20-21)13-8-4-3-5-9-13)18-19-15-10-6-7-11-16(15)22(18)2/h3-12H,1-2H3.
What are the key properties of 1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole?
1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole has a molecular weight of 288.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole is sourced from PubChem (CID 8005690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).