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

C18H16N4 — CID 59784918

IUPAC4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3cn(C)nc3-c3ccccc3)nc12
InChIInChI=1S/C18H16N4/c1-12-7-6-10-15-16(12)20-18(19-15)14-11-22(2)21-17(14)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,20)
InChIKeyCSDOENLRHDMNCE-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.94
Rot. Bonds2

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

4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole (PubChem CID 59784918) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole
PubChem CID59784918
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3cn(C)nc3-c3ccccc3)nc12
InChIInChI=1S/C18H16N4/c1-12-7-6-10-15-16(12)20-18(19-15)14-11-22(2)21-17(14)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,20)
InChIKeyCSDOENLRHDMNCE-UHFFFAOYSA-N
XLogP3.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole (CID 59784918) is 4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole is Cc1cccc2[nH]c(-c3cn(C)nc3-c3ccccc3)nc12.
What is the InChIKey of 4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole?
The InChIKey is CSDOENLRHDMNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-12-7-6-10-15-16(12)20-18(19-15)14-11-22(2)21-17(14)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,20).
What are the key properties of 4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole?
4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole has a molecular weight of 288.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 59784918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).