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

C16H22N2OS — CID 105111704

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol
SMILESCCn1c(CC(O)C2(C)CCCS2)nc2ccccc21
InChIInChI=1S/C16H22N2OS/c1-3-18-13-8-5-4-7-12(13)17-15(18)11-14(19)16(2)9-6-10-20-16/h4-5,7-8,14,19H,3,6,9-11H2,1-2H3
InChIKeyNETUNHOLPITQSP-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.25
Rot. Bonds4

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

2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol (PubChem CID 105111704) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol
PubChem CID105111704
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol
SMILESCCn1c(CC(O)C2(C)CCCS2)nc2ccccc21
InChIInChI=1S/C16H22N2OS/c1-3-18-13-8-5-4-7-12(13)17-15(18)11-14(19)16(2)9-6-10-20-16/h4-5,7-8,14,19H,3,6,9-11H2,1-2H3
InChIKeyNETUNHOLPITQSP-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
CID 106830947
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622777
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714084
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61366163
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
2-(1-ethylbenzimidazol-2-yl)-1-(3-methylcyclohexyl)ethanol
CID 79755078

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol (CID 105111704) is 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol is CCn1c(CC(O)C2(C)CCCS2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol?
The InChIKey is NETUNHOLPITQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-18-13-8-5-4-7-12(13)17-15(18)11-14(19)16(2)9-6-10-20-16/h4-5,7-8,14,19H,3,6,9-11H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol?
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylthiolan-2-yl)ethanol has a molecular weight of 290.43 g/mol, XLogP of 3.25, 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-(2-methylthiolan-2-yl)ethanol is sourced from PubChem (CID 105111704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).