3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol

C17H26N2O2 — CID 116752064

IUPAC3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
SMILESCCCn1c(CC(O)C(C)(CC)OC)nc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-5-11-19-14-10-8-7-9-13(14)18-16(19)12-15(20)17(3,6-2)21-4/h7-10,15,20H,5-6,11-12H2,1-4H3
InChIKeyOFNCEAGNFTYIIB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.16
Rot. Bonds7

About 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol

3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol (PubChem CID 116752064) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
PubChem CID116752064
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
SMILESCCCn1c(CC(O)C(C)(CC)OC)nc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-5-11-19-14-10-8-7-9-13(14)18-16(19)12-15(20)17(3,6-2)21-4/h7-10,15,20H,5-6,11-12H2,1-4H3
InChIKeyOFNCEAGNFTYIIB-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-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

3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
1-tert-butylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79756075
1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79757629
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754393
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 105007167
2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
CID 79757616
[3-methoxy-1-(1-propylbenzimidazol-2-yl)pentan-2-yl]hydrazine
CID 105270881
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027615

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol (CID 116752064) is 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol is CCCn1c(CC(O)C(C)(CC)OC)nc2ccccc21.
What is the InChIKey of 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol?
The InChIKey is OFNCEAGNFTYIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-11-19-14-10-8-7-9-13(14)18-16(19)12-15(20)17(3,6-2)21-4/h7-10,15,20H,5-6,11-12H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol?
3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol has a molecular weight of 290.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 116752064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).