4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole

C12H12N4 — CID 170755995

IUPAC4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole
SMILESCc1cnn(Cc2cccc3[nH]cnc23)c1
InChIInChI=1S/C12H12N4/c1-9-5-15-16(6-9)7-10-3-2-4-11-12(10)14-8-13-11/h2-6,8H,7H2,1H3,(H,13,14)
InChIKeyYYKIFVYKCPOEAU-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.12
Rot. Bonds2

About 4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole

4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole (PubChem CID 170755995) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole
PubChem CID170755995
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole
SMILESCc1cnn(Cc2cccc3[nH]cnc23)c1
InChIInChI=1S/C12H12N4/c1-9-5-15-16(6-9)7-10-3-2-4-11-12(10)14-8-13-11/h2-6,8H,7H2,1H3,(H,13,14)
InChIKeyYYKIFVYKCPOEAU-UHFFFAOYSA-N
XLogP2.12
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole (CID 170755995) is 4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole is Cc1cnn(Cc2cccc3[nH]cnc23)c1.
What is the InChIKey of 4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole?
The InChIKey is YYKIFVYKCPOEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-9-5-15-16(6-9)7-10-3-2-4-11-12(10)14-8-13-11/h2-6,8H,7H2,1H3,(H,13,14).
What are the key properties of 4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole?
4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole has a molecular weight of 212.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpyrazol-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 170755995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).