2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol

C15H17N3OS — CID 3123771

IUPAC2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol
SMILES[H]/N=c1\n(CC)c2ccccc2n1CC(O)c1cccs1
InChIInChI=1S/C15H17N3OS/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14/h3-9,13,16,19H,2,10H2,1H3/b16-15+
InChIKeyFEFVNMCWZOPVPS-FOCLMDBBSA-N
MW287.39 g/mol
LogP2.74
Rot. Bonds4

About 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol

2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol (PubChem CID 3123771) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol
PubChem CID3123771
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol
SMILES[H]/N=c1\n(CC)c2ccccc2n1CC(O)c1cccs1
InChIInChI=1S/C15H17N3OS/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14/h3-9,13,16,19H,2,10H2,1H3/b16-15+
InChIKeyFEFVNMCWZOPVPS-FOCLMDBBSA-N
XLogP2.74
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
CID 3123763
(1R)-1-(4-chlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol
CID 791772
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide
CID 52997824
2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
CID 2857928
1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 3123773
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
CID 53314647
1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
CID 2868453
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
CID 5218920
hydron;methyl 2-(3-ethyl-2-iminobenzimidazol-1-yl)acetate;bromide
CID 658288
(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol
CID 1111782
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
CID 2851129

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol (CID 3123771) is 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol is [H]/N=c1\n(CC)c2ccccc2n1CC(O)c1cccs1.
What is the InChIKey of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol?
The InChIKey is FEFVNMCWZOPVPS-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14/h3-9,13,16,19H,2,10H2,1H3/b16-15+.
What are the key properties of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol?
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol has a molecular weight of 287.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 3123771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).