2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol

C15H20N2OS — CID 80622777

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
SMILESCCn1c(CC(O)C2CCCS2)nc2ccccc21
InChIInChI=1S/C15H20N2OS/c1-2-17-12-7-4-3-6-11(12)16-15(17)10-13(18)14-8-5-9-19-14/h3-4,6-7,13-14,18H,2,5,8-10H2,1H3
InChIKeyXUJWFCSKLNVBPF-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.86
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol

2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol (PubChem CID 80622777) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
PubChem CID80622777
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
SMILESCCn1c(CC(O)C2CCCS2)nc2ccccc21
InChIInChI=1S/C15H20N2OS/c1-2-17-12-7-4-3-6-11(12)16-15(17)10-13(18)14-8-5-9-19-14/h3-4,6-7,13-14,18H,2,5,8-10H2,1H3
InChIKeyXUJWFCSKLNVBPF-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622676
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
2-(1-ethylbenzimidazol-2-yl)-1-(3-methylcyclohexyl)ethanol
CID 79755078
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105111704
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
CID 106830947
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622599
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine
CID 80626898
3-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750884

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol (CID 80622777) is 2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol is CCn1c(CC(O)C2CCCS2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol?
The InChIKey is XUJWFCSKLNVBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-17-12-7-4-3-6-11(12)16-15(17)10-13(18)14-8-5-9-19-14/h3-4,6-7,13-14,18H,2,5,8-10H2,1H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol?
2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol has a molecular weight of 276.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol is sourced from PubChem (CID 80622777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).