1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol

C16H22N2O2 — CID 103560180

IUPAC1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCOC1(CC(O)Cc2nc3ccccc3n2C)CCC1
InChIInChI=1S/C16H22N2O2/c1-18-14-7-4-3-6-13(14)17-15(18)10-12(19)11-16(20-2)8-5-9-16/h3-4,6-7,12,19H,5,8-11H2,1-2H3
InChIKeyKZZAUVJMAOGPJL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.44
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol

1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol (PubChem CID 103560180) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
PubChem CID103560180
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCOC1(CC(O)Cc2nc3ccccc3n2C)CCC1
InChIInChI=1S/C16H22N2O2/c1-18-14-7-4-3-6-13(14)17-15(18)10-12(19)11-16(20-2)8-5-9-16/h3-4,6-7,12,19H,5,8-11H2,1-2H3
InChIKeyKZZAUVJMAOGPJL-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-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-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515
1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol
CID 103452132
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753289
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
CID 79753857
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
CID 79755905
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol (CID 103560180) is 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol is COC1(CC(O)Cc2nc3ccccc3n2C)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is KZZAUVJMAOGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18-14-7-4-3-6-13(14)17-15(18)10-12(19)11-16(20-2)8-5-9-16/h3-4,6-7,12,19H,5,8-11H2,1-2H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 103560180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).