3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

C10H16ClN3O — CID 63666126

IUPAC3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCn1ccnc1CNC(=O)C(C)(C)CCl
InChIInChI=1S/C10H16ClN3O/c1-10(2,7-11)9(15)13-6-8-12-4-5-14(8)3/h4-5H,6-7H2,1-3H3,(H,13,15)
InChIKeyHWFDGKORXXJPND-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.30
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 63666126) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID63666126
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCn1ccnc1CNC(=O)C(C)(C)CCl
InChIInChI=1S/C10H16ClN3O/c1-10(2,7-11)9(15)13-6-8-12-4-5-14(8)3/h4-5H,6-7H2,1-3H3,(H,13,15)
InChIKeyHWFDGKORXXJPND-UHFFFAOYSA-N
XLogP1.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide 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

3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 65266755
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]propanoic acid
CID 79623973
2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107472140
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 61220570
N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63295598
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 63666126) is 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is Cn1ccnc1CNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is HWFDGKORXXJPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-10(2,7-11)9(15)13-6-8-12-4-5-14(8)3/h4-5H,6-7H2,1-3H3,(H,13,15).
What are the key properties of 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 229.71 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 63666126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).