2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole

C10H17N3S — CID 130920798

IUPAC2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole
SMILESCC(C)SC1CCN(c2ncc[nH]2)C1
InChIInChI=1S/C10H17N3S/c1-8(2)14-9-3-6-13(7-9)10-11-4-5-12-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyFDCLHQYAXIMSJM-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.13
Rot. Bonds3

About 2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole

2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole (PubChem CID 130920798) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole
PubChem CID130920798
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole
SMILESCC(C)SC1CCN(c2ncc[nH]2)C1
InChIInChI=1S/C10H17N3S/c1-8(2)14-9-3-6-13(7-9)10-11-4-5-12-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyFDCLHQYAXIMSJM-UHFFFAOYSA-N
XLogP2.13
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-2-yl)piperidin-4-ol
CID 130831688
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole
CID 131042977
1-ethyl-4-(1H-imidazol-2-yl)-2-methylpiperazine
CID 131162497
1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride
CID 175797886
1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol
CID 173242348
2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole
CID 18723020
7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 45278194
2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole
CID 131137791
2-(2,6-dimethylphenyl)-4-(1H-imidazol-2-yl)thiomorpholine
CID 67550602
1-[1-(1H-imidazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 130979094
tert-butyl 3-propan-2-ylsulfanylpyrrolidine-1-carboxylate
CID 130835342
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole?
The IUPAC name of 2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole (CID 130920798) is 2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole.
What is the SMILES notation for 2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole?
The canonical SMILES for 2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole is CC(C)SC1CCN(c2ncc[nH]2)C1.
What is the InChIKey of 2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole?
The InChIKey is FDCLHQYAXIMSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8(2)14-9-3-6-13(7-9)10-11-4-5-12-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole?
2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole has a molecular weight of 211.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole is sourced from PubChem (CID 130920798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).