1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol

C15H22N2O — CID 155560387

IUPAC1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol
SMILESCCCC(O)c1nc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H22N2O/c1-5-6-13(18)14-16-11-8-7-10(15(2,3)4)9-12(11)17-14/h7-9,13,18H,5-6H2,1-4H3,(H,16,17)
InChIKeyNYIFQZJDUJIPTK-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.69
Rot. Bonds3

About 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol

1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol (PubChem CID 155560387) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol
PubChem CID155560387
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol
SMILESCCCC(O)c1nc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H22N2O/c1-5-6-13(18)14-16-11-8-7-10(15(2,3)4)9-12(11)17-14/h7-9,13,18H,5-6H2,1-4H3,(H,16,17)
InChIKeyNYIFQZJDUJIPTK-UHFFFAOYSA-N
XLogP3.69
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol?
The IUPAC name of 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol (CID 155560387) is 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol.
What is the SMILES notation for 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol?
The canonical SMILES for 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol is CCCC(O)c1nc2ccc(C(C)(C)C)cc2[nH]1.
What is the InChIKey of 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol?
The InChIKey is NYIFQZJDUJIPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-6-13(18)14-16-11-8-7-10(15(2,3)4)9-12(11)17-14/h7-9,13,18H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol?
1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol is sourced from PubChem (CID 155560387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).