1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol

C18H24N2O — CID 115818146

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
SMILESCCCn1c(CC(O)C2CC3CC3C2)nc2ccccc21
InChIInChI=1S/C18H24N2O/c1-2-7-20-16-6-4-3-5-15(16)19-18(20)11-17(21)14-9-12-8-13(12)10-14/h3-6,12-14,17,21H,2,7-11H2,1H3
InChIKeyDJSOBCUAHNPTIZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.40
Rot. Bonds5

About 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol

1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol (PubChem CID 115818146) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
PubChem CID115818146
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
SMILESCCCn1c(CC(O)C2CC3CC3C2)nc2ccccc21
InChIInChI=1S/C18H24N2O/c1-2-7-20-16-6-4-3-5-15(16)19-18(20)11-17(21)14-9-12-8-13(12)10-14/h3-6,12-14,17,21H,2,7-11H2,1H3
InChIKeyDJSOBCUAHNPTIZ-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol with MolForge

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
2-(1-ethylbenzimidazol-2-yl)-1-(3-methylcyclohexyl)ethanol
CID 79755078
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 63299001
1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757049
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 103089740
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
CID 81050071

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol (CID 115818146) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol is CCCn1c(CC(O)C2CC3CC3C2)nc2ccccc21.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol?
The InChIKey is DJSOBCUAHNPTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-7-20-16-6-4-3-5-15(16)19-18(20)11-17(21)14-9-12-8-13(12)10-14/h3-6,12-14,17,21H,2,7-11H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol?
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol has a molecular weight of 284.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 115818146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).