2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole

C13H14N4 — CID 57314643

IUPAC2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole
SMILESCc1cn(Cc2nc3ccccc3[nH]2)c(C)n1
InChIInChI=1S/C13H14N4/c1-9-7-17(10(2)14-9)8-13-15-11-5-3-4-6-12(11)16-13/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyZUQNPGYFWUCRNL-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.42
Rot. Bonds2

About 2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole

2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole (PubChem CID 57314643) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole
PubChem CID57314643
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole
SMILESCc1cn(Cc2nc3ccccc3[nH]2)c(C)n1
InChIInChI=1S/C13H14N4/c1-9-7-17(10(2)14-9)8-13-15-11-5-3-4-6-12(11)16-13/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyZUQNPGYFWUCRNL-UHFFFAOYSA-N
XLogP2.42
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
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2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole
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CID 142265346
2-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75438688
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
CID 87640795
CID 87640795
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide
CID 153403078

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole (CID 57314643) is 2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole is Cc1cn(Cc2nc3ccccc3[nH]2)c(C)n1.
What is the InChIKey of 2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole?
The InChIKey is ZUQNPGYFWUCRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9-7-17(10(2)14-9)8-13-15-11-5-3-4-6-12(11)16-13/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole?
2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole has a molecular weight of 226.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 57314643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).