2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole

C11H17ClN2S — CID 117260017

IUPAC2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole
SMILESCC(C)n1c(C2CCSCC2)cnc1Cl
InChIInChI=1S/C11H17ClN2S/c1-8(2)14-10(7-13-11(14)12)9-3-5-15-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyRRBWRADOYFRDLS-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.73
Rot. Bonds2

About 2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole

2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole (PubChem CID 117260017) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole.

Molecular Properties

Compound Name2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole
PubChem CID117260017
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole
SMILESCC(C)n1c(C2CCSCC2)cnc1Cl
InChIInChI=1S/C11H17ClN2S/c1-8(2)14-10(7-13-11(14)12)9-3-5-15-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyRRBWRADOYFRDLS-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-cyclobutyl-1-propan-2-ylimidazole
CID 117260181
2-bromo-5-cyclopentyl-1-propan-2-ylimidazole
CID 117260187
5-chloro-2-cyclopropyl-1-propan-2-ylimidazole
CID 117259506
2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole
CID 117259825
4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine
CID 117259842
2-chloro-5-cyclohexyl-1-ethylimidazole
CID 117260188
8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117152463
1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089939
2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole
CID 117260050
5-chloro-2-(thiolan-3-yl)-1,3-thiazole
CID 117259063
2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole
CID 117260158
3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol
CID 164644976

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole?
The IUPAC name of 2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole (CID 117260017) is 2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole.
What is the SMILES notation for 2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole?
The canonical SMILES for 2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole is CC(C)n1c(C2CCSCC2)cnc1Cl.
What is the InChIKey of 2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole?
The InChIKey is RRBWRADOYFRDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-8(2)14-10(7-13-11(14)12)9-3-5-15-6-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole?
2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole has a molecular weight of 244.79 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole is sourced from PubChem (CID 117260017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).