2-benzyl-4-methyl-1H-benzimidazole

C15H14N2 — CID 12948781

IUPAC2-benzyl-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(Cc3ccccc3)nc12
InChIInChI=1S/C15H14N2/c1-11-6-5-9-13-15(11)17-14(16-13)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyDEXUYCSHAAHZFT-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.46
Rot. Bonds2

About 2-benzyl-4-methyl-1H-benzimidazole

2-benzyl-4-methyl-1H-benzimidazole (PubChem CID 12948781) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-benzyl-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-benzyl-4-methyl-1H-benzimidazole
PubChem CID12948781
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-benzyl-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(Cc3ccccc3)nc12
InChIInChI=1S/C15H14N2/c1-11-6-5-9-13-15(11)17-14(16-13)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyDEXUYCSHAAHZFT-UHFFFAOYSA-N
XLogP3.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-1H-benzimidazole?
The IUPAC name of 2-benzyl-4-methyl-1H-benzimidazole (CID 12948781) is 2-benzyl-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-benzyl-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-benzyl-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-4-methyl-1H-benzimidazole?
The InChIKey is DEXUYCSHAAHZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-6-5-9-13-15(11)17-14(16-13)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-benzyl-4-methyl-1H-benzimidazole?
2-benzyl-4-methyl-1H-benzimidazole has a molecular weight of 222.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-1H-benzimidazole is sourced from PubChem (CID 12948781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).