5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

C15H17N3OS — CID 62090338

IUPAC5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NC(C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccsc1
InChIInChI=1S/C15H17N3OS/c1-9(16-10(2)12-5-6-20-8-12)11-3-4-13-14(7-11)18-15(19)17-13/h3-10,16H,1-2H3,(H2,17,18,19)
InChIKeyIFAZOFZWKPMZET-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.33
Rot. Bonds4

About 5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62090338) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62090338
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NC(C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccsc1
InChIInChI=1S/C15H17N3OS/c1-9(16-10(2)12-5-6-20-8-12)11-3-4-13-14(7-11)18-15(19)17-13/h3-10,16H,1-2H3,(H2,17,18,19)
InChIKeyIFAZOFZWKPMZET-UHFFFAOYSA-N
XLogP3.33
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61473489
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43371810
3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
CID 106344304
1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62841313
6-[bromo(thiophen-3-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61098507
5-[1-(4-ethylsulfanylbutan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115898545
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047659
5-[1-(4-fluoroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201319

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 62090338) is 5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NC(C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccsc1.
What is the InChIKey of 5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IFAZOFZWKPMZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9(16-10(2)12-5-6-20-8-12)11-3-4-13-14(7-11)18-15(19)17-13/h3-10,16H,1-2H3,(H2,17,18,19).
What are the key properties of 5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 287.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62090338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).