2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide

C12H13ClN4O — CID 79292582

IUPAC2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c(CCl)nc2cnccc21)NC1CC1
InChIInChI=1S/C12H13ClN4O/c13-5-11-16-9-6-14-4-3-10(9)17(11)7-12(18)15-8-1-2-8/h3-4,6,8H,1-2,5,7H2,(H,15,18)
InChIKeyKYYJGJFRSJEWKY-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.45
Rot. Bonds4

About 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide

2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide (PubChem CID 79292582) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
PubChem CID79292582
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c(CCl)nc2cnccc21)NC1CC1
InChIInChI=1S/C12H13ClN4O/c13-5-11-16-9-6-14-4-3-10(9)17(11)7-12(18)15-8-1-2-8/h3-4,6,8H,1-2,5,7H2,(H,15,18)
InChIKeyKYYJGJFRSJEWKY-UHFFFAOYSA-N
XLogP1.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
CID 113405656
2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 66111401
2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 116738808
2-[2-(chloromethyl)-5-isocyanobenzimidazol-1-yl]-N-cyclohexylacetamide
CID 20585754
methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
CID 79292098
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 62595456
3-[2-(cyclopropylamino)-2-oxoethyl]-2-ethylbenzimidazole-5-carboxylic acid
CID 82770860
N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029056
2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
CID 67975549
2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine
CID 107419703
2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide
CID 66151866
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide (CID 79292582) is 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide is O=C(Cn1c(CCl)nc2cnccc21)NC1CC1.
What is the InChIKey of 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide?
The InChIKey is KYYJGJFRSJEWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-5-11-16-9-6-14-4-3-10(9)17(11)7-12(18)15-8-1-2-8/h3-4,6,8H,1-2,5,7H2,(H,15,18).
What are the key properties of 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide?
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide has a molecular weight of 264.72 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 79292582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).