2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide

C9H12ClN3O — CID 66151866

IUPAC2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1cncc1CCl)NC1CC1
InChIInChI=1S/C9H12ClN3O/c10-3-8-4-11-6-13(8)5-9(14)12-7-1-2-7/h4,6-7H,1-3,5H2,(H,12,14)
InChIKeyLSXWMEKQTDMRJH-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.90
Rot. Bonds4

About 2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide

2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide (PubChem CID 66151866) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide
PubChem CID66151866
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1cncc1CCl)NC1CC1
InChIInChI=1S/C9H12ClN3O/c10-3-8-4-11-6-13(8)5-9(14)12-7-1-2-7/h4,6-7H,1-3,5H2,(H,12,14)
InChIKeyLSXWMEKQTDMRJH-UHFFFAOYSA-N
XLogP0.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N-cyclopropylacetamide
CID 114718057
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
3-[5-(chloromethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150216
4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide
CID 79401031
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
CID 79292582
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114582836
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
CID 79394815
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114583697
N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide
CID 79400872
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide
CID 66135433

Frequently Asked Questions

What is the IUPAC name of 2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide (CID 66151866) is 2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide is O=C(Cn1cncc1CCl)NC1CC1.
What is the InChIKey of 2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide?
The InChIKey is LSXWMEKQTDMRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-3-8-4-11-6-13(8)5-9(14)12-7-1-2-7/h4,6-7H,1-3,5H2,(H,12,14).
What are the key properties of 2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide?
2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide has a molecular weight of 213.67 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 66151866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).