2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole

C12H12N4 — CID 116856632

IUPAC2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
SMILESCc1cc(-c2ccc3nc(C)[nH]c3c2)n[nH]1
InChIInChI=1S/C12H12N4/c1-7-5-11(16-15-7)9-3-4-10-12(6-9)14-8(2)13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyOXGMFOFBDAKTEE-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.57
Rot. Bonds1

About 2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole

2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole (PubChem CID 116856632) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
PubChem CID116856632
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
SMILESCc1cc(-c2ccc3nc(C)[nH]c3c2)n[nH]1
InChIInChI=1S/C12H12N4/c1-7-5-11(16-15-7)9-3-4-10-12(6-9)14-8(2)13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyOXGMFOFBDAKTEE-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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Related Compounds

(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol
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6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole
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2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile
CID 116857931
N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
CID 116897507
6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 159713006
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
2-methyl-6-naphthalen-1-yl-1H-benzimidazole
CID 46951477
N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine
CID 116897788
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole?
The IUPAC name of 2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole (CID 116856632) is 2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole is Cc1cc(-c2ccc3nc(C)[nH]c3c2)n[nH]1.
What is the InChIKey of 2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole?
The InChIKey is OXGMFOFBDAKTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-7-5-11(16-15-7)9-3-4-10-12(6-9)14-8(2)13-10/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole?
2-methyl-6-(5-methyl-1H-pyrazol-3-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-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 116856632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).