2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole

C14H16N4 — CID 808838

IUPAC2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole
SMILESCc1cc(C)n(Cc2nc3ccccc3n2C)n1
InChIInChI=1S/C14H16N4/c1-10-8-11(2)18(16-10)9-14-15-12-6-4-5-7-13(12)17(14)3/h4-8H,9H2,1-3H3
InChIKeyWYQKDBQRCMHYMK-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.43
Rot. Bonds2

About 2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole

2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole (PubChem CID 808838) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole
PubChem CID808838
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole
SMILESCc1cc(C)n(Cc2nc3ccccc3n2C)n1
InChIInChI=1S/C14H16N4/c1-10-8-11(2)18(16-10)9-14-15-12-6-4-5-7-13(12)17(14)3/h4-8H,9H2,1-3H3
InChIKeyWYQKDBQRCMHYMK-UHFFFAOYSA-N
XLogP2.43
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole (CID 808838) is 2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole is Cc1cc(C)n(Cc2nc3ccccc3n2C)n1.
What is the InChIKey of 2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole?
The InChIKey is WYQKDBQRCMHYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-8-11(2)18(16-10)9-14-15-12-6-4-5-7-13(12)17(14)3/h4-8H,9H2,1-3H3.
What are the key properties of 2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole?
2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole has a molecular weight of 240.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 808838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).