4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol

C13H18N2O — CID 79200644

IUPAC4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
SMILESCc1cc2nc(CCC(C)O)[nH]c2cc1C
InChIInChI=1S/C13H18N2O/c1-8-6-11-12(7-9(8)2)15-13(14-11)5-4-10(3)16/h6-7,10,16H,4-5H2,1-3H3,(H,14,15)
InChIKeyFSCHWGQVDWRIBJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.49
Rot. Bonds3

About 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol

4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol (PubChem CID 79200644) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
PubChem CID79200644
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
SMILESCc1cc2nc(CCC(C)O)[nH]c2cc1C
InChIInChI=1S/C13H18N2O/c1-8-6-11-12(7-9(8)2)15-13(14-11)5-4-10(3)16/h6-7,10,16H,4-5H2,1-3H3,(H,14,15)
InChIKeyFSCHWGQVDWRIBJ-UHFFFAOYSA-N
XLogP2.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol
CID 79200737
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
N-[2-(3-hydroxybutyl)-3H-benzimidazol-5-yl]formamide
CID 168652422
2-[(3R)-3-hydroxybutyl]-3H-benzimidazole-5-carboxylate
CID 6937344
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073665
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 62336189
tetrakis(5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazole);dihydrate
CID 139062819
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 82336665
5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole
CID 165144427
2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336896
4-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethylsulfanyl]butanoic acid
CID 82337272

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol?
The IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol (CID 79200644) is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol?
The canonical SMILES for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol is Cc1cc2nc(CCC(C)O)[nH]c2cc1C.
What is the InChIKey of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol?
The InChIKey is FSCHWGQVDWRIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-6-11-12(7-9(8)2)15-13(14-11)5-4-10(3)16/h6-7,10,16H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol?
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol has a molecular weight of 218.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 79200644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).