2-chloro-1-methyl-5-prop-1-en-2-ylimidazole

C7H9ClN2 — CID 89020415

IUPAC2-chloro-1-methyl-5-prop-1-en-2-ylimidazole
SMILESC=C(C)c1cnc(Cl)n1C
InChIInChI=1S/C7H9ClN2/c1-5(2)6-4-9-7(8)10(6)3/h4H,1H2,2-3H3
InChIKeyWJORDRAPRFAURD-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.11
Rot. Bonds1

About 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole

2-chloro-1-methyl-5-prop-1-en-2-ylimidazole (PubChem CID 89020415) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole.

Molecular Properties

Compound Name2-chloro-1-methyl-5-prop-1-en-2-ylimidazole
PubChem CID89020415
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name2-chloro-1-methyl-5-prop-1-en-2-ylimidazole
SMILESC=C(C)c1cnc(Cl)n1C
InChIInChI=1S/C7H9ClN2/c1-5(2)6-4-9-7(8)10(6)3/h4H,1H2,2-3H3
InChIKeyWJORDRAPRFAURD-UHFFFAOYSA-N
XLogP2.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methylhistamine
CID 3614
3-Methylhistamine
CID 69520
1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
1-Methylhistamine dihydrochloride
CID 11957601
2-(1-Methyl-1H-imidazol-4-yl)ethanamine hydrochloride
CID 16219661
N(tele)-methylhistaminium
CID 25245502
1-Methyl-2-nitro-5-(prop-1-en-2-yl)-1H-imidazole
CID 116559
2-(1-methyl-1H-imidazol-4-yl)acetonitrile
CID 19417752
2-(1-Methyl-1H-imidazol-5-yl)ethanamine hydrochloride
CID 45157688
1-(1-methyl-1H-imidazol-5-yl)ethan-1-amine
CID 54236205
2-chloro-1,5-dimethyl-1H-imidazole
CID 60069416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole?
The IUPAC name of 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole (CID 89020415) is 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole.
What is the SMILES notation for 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole?
The canonical SMILES for 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole is C=C(C)c1cnc(Cl)n1C.
What is the InChIKey of 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole?
The InChIKey is WJORDRAPRFAURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5(2)6-4-9-7(8)10(6)3/h4H,1H2,2-3H3.
What are the key properties of 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole?
2-chloro-1-methyl-5-prop-1-en-2-ylimidazole has a molecular weight of 156.62 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-5-prop-1-en-2-ylimidazole is sourced from PubChem (CID 89020415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).