4-chloro-1-methyl-5-propan-2-ylimidazole

C7H11ClN2 — CID 146392537

IUPAC4-chloro-1-methyl-5-propan-2-ylimidazole
SMILESCC(C)c1c(Cl)ncn1C
InChIInChI=1S/C7H11ClN2/c1-5(2)6-7(8)9-4-10(6)3/h4-5H,1-3H3
InChIKeyPZYWRONRMQQWFI-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.20
Rot. Bonds1

About 4-chloro-1-methyl-5-propan-2-ylimidazole

4-chloro-1-methyl-5-propan-2-ylimidazole (PubChem CID 146392537) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 4-chloro-1-methyl-5-propan-2-ylimidazole.

Molecular Properties

Compound Name4-chloro-1-methyl-5-propan-2-ylimidazole
PubChem CID146392537
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name4-chloro-1-methyl-5-propan-2-ylimidazole
SMILESCC(C)c1c(Cl)ncn1C
InChIInChI=1S/C7H11ClN2/c1-5(2)6-7(8)9-4-10(6)3/h4-5H,1-3H3
InChIKeyPZYWRONRMQQWFI-UHFFFAOYSA-N
XLogP2.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1,5-dimethylimidazole
CID 59999519
3,4-dichloro-1-methyl-5-propan-2-ylpyrazole
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5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one
CID 155349023
2-(5-chloro-3-methylimidazol-4-yl)-2-morpholin-4-ylethanamine
CID 84741697
6-chloro-5-fluoro-3-methylpyrimidin-4-one
CID 133060787
6-chloro-3,8-dimethylpurine
CID 20700191
5-chloro-1-methylimidazol-4-amine
CID 23064494
5-(2-chloro-4-methylpentan-3-yl)-1-methyl-4-nitroimidazole
CID 63205580
(5-chloro-3-methylimidazol-4-yl) hydrogen sulfite
CID 174302184
3-chloro-1-ethyl-4-propan-2-ylpyrazole
CID 123789660
3-(4,5-dichloroimidazol-1-yl)butan-2-ol
CID 130857722
1-tert-butyl-3-chloro-4-propan-2-ylpyrazole
CID 126758588

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-5-propan-2-ylimidazole?
The IUPAC name of 4-chloro-1-methyl-5-propan-2-ylimidazole (CID 146392537) is 4-chloro-1-methyl-5-propan-2-ylimidazole.
What is the SMILES notation for 4-chloro-1-methyl-5-propan-2-ylimidazole?
The canonical SMILES for 4-chloro-1-methyl-5-propan-2-ylimidazole is CC(C)c1c(Cl)ncn1C.
What is the InChIKey of 4-chloro-1-methyl-5-propan-2-ylimidazole?
The InChIKey is PZYWRONRMQQWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-5(2)6-7(8)9-4-10(6)3/h4-5H,1-3H3.
What are the key properties of 4-chloro-1-methyl-5-propan-2-ylimidazole?
4-chloro-1-methyl-5-propan-2-ylimidazole has a molecular weight of 158.63 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-5-propan-2-ylimidazole is sourced from PubChem (CID 146392537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).