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

C14H18N2OS — CID 80622676

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
SMILESCn1c(CC(O)C2CCCS2)nc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-16-11-6-3-2-5-10(11)15-14(16)9-12(17)13-7-4-8-18-13/h2-3,5-6,12-13,17H,4,7-9H2,1H3
InChIKeyNHSZNVCDORNDBP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.37
Rot. Bonds3

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

2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol (PubChem CID 80622676) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
PubChem CID80622676
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
SMILESCn1c(CC(O)C2CCCS2)nc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-16-11-6-3-2-5-10(11)15-14(16)9-12(17)13-7-4-8-18-13/h2-3,5-6,12-13,17H,4,7-9H2,1H3
InChIKeyNHSZNVCDORNDBP-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622777
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622599
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine
CID 80626898
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555
1-(3-ethyl-1,4-dithian-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115386324
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
2-(1-methylbenzimidazol-2-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115818385
2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanol
CID 115818506
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79756074
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753289

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol (CID 80622676) is 2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol is Cn1c(CC(O)C2CCCS2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol?
The InChIKey is NHSZNVCDORNDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16-11-6-3-2-5-10(11)15-14(16)9-12(17)13-7-4-8-18-13/h2-3,5-6,12-13,17H,4,7-9H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol?
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol has a molecular weight of 262.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol is sourced from PubChem (CID 80622676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).