2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole

C12H12N4 — CID 2305032

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole
SMILESCc1n[nH]c(C)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H12N4/c1-7-11(8(2)16-15-7)12-13-9-5-3-4-6-10(9)14-12/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyWIGOMHMSLORBAG-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.57
Rot. Bonds1

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole (PubChem CID 2305032) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole
PubChem CID2305032
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole
SMILESCc1n[nH]c(C)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H12N4/c1-7-11(8(2)16-15-7)12-13-9-5-3-4-6-10(9)14-12/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyWIGOMHMSLORBAG-UHFFFAOYSA-N
XLogP2.57
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole (CID 2305032) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole is Cc1n[nH]c(C)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The InChIKey is WIGOMHMSLORBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-7-11(8(2)16-15-7)12-13-9-5-3-4-6-10(9)14-12/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole has a molecular weight of 212.26 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 2305032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).