2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride

C6H9ClN2O — CID 143787338

IUPAC2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride
SMILESCC1=NC(C)CN1C(=O)Cl
InChIInChI=1S/C6H9ClN2O/c1-4-3-9(6(7)10)5(2)8-4/h4H,3H2,1-2H3
InChIKeyDKNNURKKPAXXOL-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.47
Rot. Bonds

About 2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride

2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride (PubChem CID 143787338) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride.

Molecular Properties

Compound Name2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride
PubChem CID143787338
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride
SMILESCC1=NC(C)CN1C(=O)Cl
InChIInChI=1S/C6H9ClN2O/c1-4-3-9(6(7)10)5(2)8-4/h4H,3H2,1-2H3
InChIKeyDKNNURKKPAXXOL-UHFFFAOYSA-N
XLogP1.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride
CID 154076703
(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl chloride
CID 131028451
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228
(2S,4R)-2,4-dimethylpyrrolidine-1-carbonyl chloride
CID 53471285
2-methyl-6-methylsulfanyl-3,5-dihydro-2H-pyrazine-4-carboxylic acid
CID 155173329
(2R)-1,4-dimethylpyrrolidine-2-carboxylic acid
CID 175489667
1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
CID 59902800
1,4-dimethyl-4,5-dihydroimidazol-2-amine
CID 154143742
5-methyl-1,3-oxazolidine-3-carbonyl chloride
CID 45081291
1,4-dimethylpyrrolidine-2-carboxylic acid;ethane
CID 169199201
1,4-dimethylpyrrolidine-2-carboxamide
CID 59689218
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride?
The IUPAC name of 2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride (CID 143787338) is 2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride.
What is the SMILES notation for 2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride?
The canonical SMILES for 2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride is CC1=NC(C)CN1C(=O)Cl.
What is the InChIKey of 2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride?
The InChIKey is DKNNURKKPAXXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O/c1-4-3-9(6(7)10)5(2)8-4/h4H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride?
2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride has a molecular weight of 160.60 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl chloride is sourced from PubChem (CID 143787338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).