N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide

C10H9ClN4O — CID 170341058

IUPACN-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2cccc(Cl)n2)[nH]1
InChIInChI=1S/C10H9ClN4O/c1-6(16)13-10-12-5-8(15-10)7-3-2-4-9(11)14-7/h2-5H,1H3,(H2,12,13,15,16)
InChIKeyYCWSJXHITSYCID-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.08
Rot. Bonds2

About N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide

N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide (PubChem CID 170341058) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide
PubChem CID170341058
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC NameN-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2cccc(Cl)n2)[nH]1
InChIInChI=1S/C10H9ClN4O/c1-6(16)13-10-12-5-8(15-10)7-3-2-4-9(11)14-7/h2-5H,1H3,(H2,12,13,15,16)
InChIKeyYCWSJXHITSYCID-UHFFFAOYSA-N
XLogP2.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-((1H-imidazol-4-yl)methyl)pyridine
CID 9877454
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 9884637
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(4-chlorophenyl)propanamide
CID 9928224
3-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948458
1-[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-3-[4-(1H-imidazol-4-yl)-butyl]-urea
CID 10201714
3-[5-(4-Chloro-phenyl)-1H-imidazol-2-yl]-pyridine
CID 10332613
[2-(1H-Imidazol-4-yl)-ethyl]-pyridin-2-yl-amine
CID 10419983
4-{[2-(1H-Imidazol-4-yl)ethyl]amino}-2-chloropyridine
CID 10443561
3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
CID 24946962
2-(1H-imidazol-4-yl)pyridine
CID 14120015
N-[2-(1h-imidazol-4-yl)-ethyl]-4-(2-pyridyl)butanamide
CID 10332747
2-[3-(1H-imidazol-5-yl)propyl]pyridine
CID 11286909

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide (CID 170341058) is N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide is CC(=O)Nc1ncc(-c2cccc(Cl)n2)[nH]1.
What is the InChIKey of N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
The InChIKey is YCWSJXHITSYCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-6(16)13-10-12-5-8(15-10)7-3-2-4-9(11)14-7/h2-5H,1H3,(H2,12,13,15,16).
What are the key properties of N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide?
N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide has a molecular weight of 236.66 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 170341058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).