3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide

C12H15N3OS — CID 134064573

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide
SMILESO=C(CCSC1=NCCN1)Nc1ccccc1
InChIInChI=1S/C12H15N3OS/c16-11(15-10-4-2-1-3-5-10)6-9-17-12-13-7-8-14-12/h1-5H,6-9H2,(H,13,14)(H,15,16)
InChIKeyNRXRQQYFLVKXMI-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.71
Rot. Bonds4

About 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide (PubChem CID 134064573) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide
PubChem CID134064573
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide
SMILESO=C(CCSC1=NCCN1)Nc1ccccc1
InChIInChI=1S/C12H15N3OS/c16-11(15-10-4-2-1-3-5-10)6-9-17-12-13-7-8-14-12/h1-5H,6-9H2,(H,13,14)(H,15,16)
InChIKeyNRXRQQYFLVKXMI-UHFFFAOYSA-N
XLogP1.71
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-anilino-3-oxopropyl)sulfanylpyridine-4-carboxylic acid
CID 61300890
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 714643
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
CID 45133479
2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 51062702
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide
CID 82240196
3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 23832964
N-phenyl-3-propan-2-ylsulfanylpropanamide
CID 163921680
N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 25276318
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide
CID 82242863
3-phenylsulfanyl-N-(1H-pyrazol-5-yl)propanamide
CID 61393999
3-fluoro-N-phenylpropanamide
CID 70366284
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CID 47152940

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide (CID 134064573) is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide is O=C(CCSC1=NCCN1)Nc1ccccc1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide?
The InChIKey is NRXRQQYFLVKXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c16-11(15-10-4-2-1-3-5-10)6-9-17-12-13-7-8-14-12/h1-5H,6-9H2,(H,13,14)(H,15,16).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide?
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide has a molecular weight of 249.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide is sourced from PubChem (CID 134064573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).