5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole

C12H15ClN2S — CID 66149183

IUPAC5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole
SMILESCc1ccc(CC(C)n2cncc2CCl)s1
InChIInChI=1S/C12H15ClN2S/c1-9(5-12-4-3-10(2)16-12)15-8-14-7-11(15)6-13/h3-4,7-9H,5-6H2,1-2H3
InChIKeyGWFYZJRVCBTRDJ-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.80
Rot. Bonds4

About 5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole

5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole (PubChem CID 66149183) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is 5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole
PubChem CID66149183
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC Name5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole
SMILESCc1ccc(CC(C)n2cncc2CCl)s1
InChIInChI=1S/C12H15ClN2S/c1-9(5-12-4-3-10(2)16-12)15-8-14-7-11(15)6-13/h3-4,7-9H,5-6H2,1-2H3
InChIKeyGWFYZJRVCBTRDJ-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole
CID 114720919
4-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575204
5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole
CID 66151469
5-(chloromethyl)-1-(1-methylsulfonylpropan-2-yl)imidazole
CID 66149591
5-(chloromethyl)-1-[1-(4-methylphenyl)ethyl]imidazole
CID 66152074
1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79873550
(E)-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-en-1-amine
CID 81429947
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
2-methyl-5-(2-methylbutyl)thiophene
CID 88977809
6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine
CID 79300915
5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole
CID 106005568

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole?
The IUPAC name of 5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole (CID 66149183) is 5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole?
The canonical SMILES for 5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole is Cc1ccc(CC(C)n2cncc2CCl)s1.
What is the InChIKey of 5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole?
The InChIKey is GWFYZJRVCBTRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-9(5-12-4-3-10(2)16-12)15-8-14-7-11(15)6-13/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole?
5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole has a molecular weight of 254.79 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole is sourced from PubChem (CID 66149183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).