1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol

C18H24N2O — CID 115818459

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCn1c(CC(O)CC2CC3CCC2C3)nc2ccccc21
InChIInChI=1S/C18H24N2O/c1-20-17-5-3-2-4-16(17)19-18(20)11-15(21)10-14-9-12-6-7-13(14)8-12/h2-5,12-15,21H,6-11H2,1H3
InChIKeyHRPMJTDFZZKDCQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.30
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol (PubChem CID 115818459) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
PubChem CID115818459
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCn1c(CC(O)CC2CC3CCC2C3)nc2ccccc21
InChIInChI=1S/C18H24N2O/c1-20-17-5-3-2-4-16(17)19-18(20)11-15(21)10-14-9-12-6-7-13(14)8-12/h2-5,12-15,21H,6-11H2,1H3
InChIKeyHRPMJTDFZZKDCQ-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-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-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753289
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole
CID 116622454
1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol
CID 63519467
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622676
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol (CID 115818459) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol is Cn1c(CC(O)CC2CC3CCC2C3)nc2ccccc21.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is HRPMJTDFZZKDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20-17-5-3-2-4-16(17)19-18(20)11-15(21)10-14-9-12-6-7-13(14)8-12/h2-5,12-15,21H,6-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 115818459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).