3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide

C16H17N3O2S — CID 97084541

IUPAC3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NC[C@@H](O)c1ccsc1
InChIInChI=1S/C16H17N3O2S/c20-15(12-6-8-22-10-12)9-17-16(21)5-7-19-11-18-13-3-1-2-4-14(13)19/h1-4,6,8,10-11,15,20H,5,7,9H2,(H,17,21)/t15-/m1/s1
InChIKeyRSPRAOPGXDIETA-OAHLLOKOSA-N
MW315.40 g/mol
LogP2.34
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide

3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide (PubChem CID 97084541) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide
PubChem CID97084541
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NC[C@@H](O)c1ccsc1
InChIInChI=1S/C16H17N3O2S/c20-15(12-6-8-22-10-12)9-17-16(21)5-7-19-11-18-13-3-1-2-4-14(13)19/h1-4,6,8,10-11,15,20H,5,7,9H2,(H,17,21)/t15-/m1/s1
InChIKeyRSPRAOPGXDIETA-OAHLLOKOSA-N
XLogP2.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanoic acid
CID 66167640
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089253
3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111520132
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686
3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111445290

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide (CID 97084541) is 3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide is O=C(CCn1cnc2ccccc21)NC[C@@H](O)c1ccsc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide?
The InChIKey is RSPRAOPGXDIETA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(12-6-8-22-10-12)9-17-16(21)5-7-19-11-18-13-3-1-2-4-14(13)19/h1-4,6,8,10-11,15,20H,5,7,9H2,(H,17,21)/t15-/m1/s1.
What are the key properties of 3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide?
3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide has a molecular weight of 315.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 97084541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).