2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide

C11H15Cl2N3O — CID 47187425

IUPAC2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H15Cl2N3O/c1-8(5-16-4-3-14-7-16)15-9(17)10(2)6-11(10,12)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)
InChIKeyRGBJGHWIUGYXDP-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.97
Rot. Bonds4

About 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide (PubChem CID 47187425) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide
PubChem CID47187425
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H15Cl2N3O/c1-8(5-16-4-3-14-7-16)15-9(17)10(2)6-11(10,12)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)
InChIKeyRGBJGHWIUGYXDP-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide 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

2,2,2-trichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 2889672
2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-1-methylcyclopropanecarboxamide
CID 2970407
2,2-dibromo-N-[3-(4-chloroimidazol-1-yl)propyl]-1-methylcyclopropane-1-carboxamide
CID 90675793
N-[1-(1H-imidazol-1-ylmethyl)-2,2-dimethylpropyl]-1-(methoxymethyl)cyclopropanecarboxamide
CID 74231720
2,2-dichloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-methylcyclopropane-1-carboxamide
CID 51108161
2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide
CID 78848788
(1R)-2,2-dichloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-methylcyclopropane-1-carboxamide
CID 94809351
(1S)-2,2-dichloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-methylcyclopropane-1-carboxamide
CID 94809352
2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 134050130
2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide
CID 3439657
1-amino-N-[1-(1H-imidazol-1-ylmethyl)-2,2-dimethylpropyl]cyclopropanecarboxamide
CID 56877965
N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide
CID 3425821

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide (CID 47187425) is 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide is CC(Cn1ccnc1)NC(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is RGBJGHWIUGYXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-8(5-16-4-3-14-7-16)15-9(17)10(2)6-11(10,12)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 276.17 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47187425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).