2-butyl-1H-benzimidazole

C11H14N2 — CID 22122

IUPAC2-butyl-1H-benzimidazole
SMILESCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKeyHITWHALOZBMLHY-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.91
Rot. Bonds3

About 2-butyl-1H-benzimidazole

2-butyl-1H-benzimidazole (PubChem CID 22122) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-butyl-1H-benzimidazole.

Molecular Properties

Compound Name2-butyl-1H-benzimidazole
PubChem CID22122
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-butyl-1H-benzimidazole
SMILESCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKeyHITWHALOZBMLHY-UHFFFAOYSA-N
XLogP2.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1H-benzimidazole?
The IUPAC name of 2-butyl-1H-benzimidazole (CID 22122) is 2-butyl-1H-benzimidazole.
What is the SMILES notation for 2-butyl-1H-benzimidazole?
The canonical SMILES for 2-butyl-1H-benzimidazole is CCCCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-butyl-1H-benzimidazole?
The InChIKey is HITWHALOZBMLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3,(H,12,13).
What are the key properties of 2-butyl-1H-benzimidazole?
2-butyl-1H-benzimidazole has a molecular weight of 174.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1H-benzimidazole is sourced from PubChem (CID 22122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).