1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole

C12H21N3S — CID 97327974

IUPAC1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
SMILESCCn1ccnc1SCC[C@@H]1CCCN1C
InChIInChI=1S/C12H21N3S/c1-3-15-9-7-13-12(15)16-10-6-11-5-4-8-14(11)2/h7,9,11H,3-6,8,10H2,1-2H3/t11-/m0/s1
InChIKeyDOVLOBDTHMDFSR-NSHDSACASA-N
MW239.39 g/mol
LogP2.48
Rot. Bonds5

About 1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole

1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole (PubChem CID 97327974) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole.

Molecular Properties

Compound Name1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
PubChem CID97327974
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
SMILESCCn1ccnc1SCC[C@@H]1CCCN1C
InChIInChI=1S/C12H21N3S/c1-3-15-9-7-13-12(15)16-10-6-11-5-4-8-14(11)2/h7,9,11H,3-6,8,10H2,1-2H3/t11-/m0/s1
InChIKeyDOVLOBDTHMDFSR-NSHDSACASA-N
XLogP2.48
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
2-(2-chloroethylsulfanyl)-1-ethylimidazole
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4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 75433528
6-amino-1-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyrimidin-4-one
CID 154782778
3-[3-(1-ethylimidazol-2-yl)sulfanylpropyl]-1,3-oxazolidin-2-one
CID 71937221
3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 47096301
1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565238
5-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43305678
4-butyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-one
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2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole
CID 95222460
1-(1-ethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol
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2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline
CID 95209596

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole?
The IUPAC name of 1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole (CID 97327974) is 1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole.
What is the SMILES notation for 1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole?
The canonical SMILES for 1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole is CCn1ccnc1SCC[C@@H]1CCCN1C.
What is the InChIKey of 1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole?
The InChIKey is DOVLOBDTHMDFSR-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-15-9-7-13-12(15)16-10-6-11-5-4-8-14(11)2/h7,9,11H,3-6,8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole?
1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole has a molecular weight of 239.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole is sourced from PubChem (CID 97327974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).