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

C16H19N3OS — CID 61473489

IUPAC5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Cc1ccsc1)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H19N3OS/c1-10(7-12-5-6-21-9-12)17-11(2)13-3-4-14-15(8-13)19-16(20)18-14/h3-6,8-11,17H,7H2,1-2H3,(H2,18,19,20)
InChIKeyTZINRCBKCPXYKD-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.20
Rot. Bonds5

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

5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61473489) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61473489
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Cc1ccsc1)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H19N3OS/c1-10(7-12-5-6-21-9-12)17-11(2)13-3-4-14-15(8-13)19-16(20)18-14/h3-6,8-11,17H,7H2,1-2H3,(H2,18,19,20)
InChIKeyTZINRCBKCPXYKD-UHFFFAOYSA-N
XLogP3.20
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62090338
5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43371810
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473171
5-[1-(4-ethylsulfanylbutan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115898545
N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
CID 54952734
4-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]benzonitrile
CID 61473442
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473448
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine
CID 61473211
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
CID 106344304

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 61473489) is 5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(Cc1ccsc1)NC(C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is TZINRCBKCPXYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10(7-12-5-6-21-9-12)17-11(2)13-3-4-14-15(8-13)19-16(20)18-14/h3-6,8-11,17H,7H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 301.42 g/mol, XLogP of 3.20, 5 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-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61473489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).