2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole

C16H18N2S — CID 122179423

IUPAC2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
SMILESCC(Cc1ccccc1-c1ccsc1)C1=NCCN1
InChIInChI=1S/C16H18N2S/c1-12(16-17-7-8-18-16)10-13-4-2-3-5-15(13)14-6-9-19-11-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,17,18)
InChIKeyRXYLHGFSJJIGGC-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.60
Rot. Bonds4

About 2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole

2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole (PubChem CID 122179423) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
PubChem CID122179423
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
SMILESCC(Cc1ccccc1-c1ccsc1)C1=NCCN1
InChIInChI=1S/C16H18N2S/c1-12(16-17-7-8-18-16)10-13-4-2-3-5-15(13)14-6-9-19-11-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,17,18)
InChIKeyRXYLHGFSJJIGGC-UHFFFAOYSA-N
XLogP3.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-(2-Thiophen-3-yl-phenyl)-ethyl]-4,5-dihydro-1H-imidazole
CID 25034503
2-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-4,5-dihydro-1H-imidazole
CID 11834943
N-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
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N-[phenyl(thiophen-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12280936
N-[phenyl(thiophen-2-yl)methyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
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N-[phenyl(thiophen-2-yl)methyl]-1-azacyclotridecen-2-amine;hydrochloride
CID 12280940
2-(5-phenylthiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 16082799
(4r,5r)-4,5-Diphenyl-2-(thiophen-3-yl)-4,5-dihydro-1h-imidazole
CID 132493809
N-[phenyl(thiophen-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 12280935

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole (CID 122179423) is 2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole is CC(Cc1ccccc1-c1ccsc1)C1=NCCN1.
What is the InChIKey of 2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is RXYLHGFSJJIGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-12(16-17-7-8-18-16)10-13-4-2-3-5-15(13)14-6-9-19-11-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,17,18).
What are the key properties of 2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole?
2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 270.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 122179423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).