1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol

C16H26N2O — CID 104753358

IUPAC1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol
SMILESCc1nc2c(n1CC(O)C1CCCCC1)CCCC2
InChIInChI=1S/C16H26N2O/c1-12-17-14-9-5-6-10-15(14)18(12)11-16(19)13-7-3-2-4-8-13/h13,16,19H,2-11H2,1H3
InChIKeyDQXCMDFNNGQXIJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.01
Rot. Bonds3

About 1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol

1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol (PubChem CID 104753358) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol
PubChem CID104753358
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol
SMILESCc1nc2c(n1CC(O)C1CCCCC1)CCCC2
InChIInChI=1S/C16H26N2O/c1-12-17-14-9-5-6-10-15(14)18(12)11-16(19)13-7-3-2-4-8-13/h13,16,19H,2-11H2,1H3
InChIKeyDQXCMDFNNGQXIJ-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol?
The IUPAC name of 1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol (CID 104753358) is 1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol.
What is the SMILES notation for 1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol?
The canonical SMILES for 1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol is Cc1nc2c(n1CC(O)C1CCCCC1)CCCC2.
What is the InChIKey of 1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol?
The InChIKey is DQXCMDFNNGQXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-17-14-9-5-6-10-15(14)18(12)11-16(19)13-7-3-2-4-8-13/h13,16,19H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol?
1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol has a molecular weight of 262.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol is sourced from PubChem (CID 104753358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).