2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide

C11H15Cl2N3O — CID 2970407

IUPAC2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCCCn2ccnc2)CC1(Cl)Cl
InChIInChI=1S/C11H15Cl2N3O/c1-10(7-11(10,12)13)9(17)15-3-2-5-16-6-4-14-8-16/h4,6,8H,2-3,5,7H2,1H3,(H,15,17)
InChIKeyZZDBOPMEOKWIPD-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.97
Rot. Bonds5

About 2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 2970407) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide
PubChem CID2970407
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCCCn2ccnc2)CC1(Cl)Cl
InChIInChI=1S/C11H15Cl2N3O/c1-10(7-11(10,12)13)9(17)15-3-2-5-16-6-4-14-8-16/h4,6,8H,2-3,5,7H2,1H3,(H,15,17)
InChIKeyZZDBOPMEOKWIPD-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 2889672
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
2,2-dibromo-N-[3-(4-chloroimidazol-1-yl)propyl]-1-methylcyclopropane-1-carboxamide
CID 90675793
2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 3362018
N-(3-imidazolylpropyl)propanamide
CID 4135721
N-(3-imidazol-1-ylpropyl)acetamide
CID 5197470
2,2-dichloro-N-(1-imidazol-1-ylpropan-2-yl)-1-methylcyclopropane-1-carboxamide
CID 47187425
4-acetamido-N-(3-imidazol-1-ylpropyl)butanamide
CID 75493158
1-(3-(2,2-dichloroacetamido)propyl)-3-methyl-1H-imidazol-3-ium iodide
CID 17190106
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

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide (CID 2970407) is 2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCCCn2ccnc2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is ZZDBOPMEOKWIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-10(7-11(10,12)13)9(17)15-3-2-5-16-6-4-14-8-16/h4,6,8H,2-3,5,7H2,1H3,(H,15,17).
What are the key properties of 2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 276.17 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(3-imidazol-1-ylpropyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 2970407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).