2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide

C10H13ClFN3O — CID 167792308

IUPAC2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(NCc1cnc2n1CCCC2)C(F)Cl
InChIInChI=1S/C10H13ClFN3O/c11-9(12)10(16)14-6-7-5-13-8-3-1-2-4-15(7)8/h5,9H,1-4,6H2,(H,14,16)
InChIKeyBPTNSQJVUIHRPJ-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.37
Rot. Bonds3

About 2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide

2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide (PubChem CID 167792308) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide
PubChem CID167792308
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(NCc1cnc2n1CCCC2)C(F)Cl
InChIInChI=1S/C10H13ClFN3O/c11-9(12)10(16)14-6-7-5-13-8-3-1-2-4-15(7)8/h5,9H,1-4,6H2,(H,14,16)
InChIKeyBPTNSQJVUIHRPJ-UHFFFAOYSA-N
XLogP1.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.37
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

5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 166225501
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83827932
1-(benzenesulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 138995797
(2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 126804864
2-[2-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)phenyl]ethanol
CID 166306760
N-[3-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 166248325
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 166269576
8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid
CID 166267732
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride
CID 126796932
trans-(1R,2R)-2-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethylamino)phenyl]cyclopropane-1-carboxylic acid
CID 166253533
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 154870040
N-[[7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide
CID 97467204

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide (CID 167792308) is 2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide is O=C(NCc1cnc2n1CCCC2)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is BPTNSQJVUIHRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c11-9(12)10(16)14-6-7-5-13-8-3-1-2-4-15(7)8/h5,9H,1-4,6H2,(H,14,16).
What are the key properties of 2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide?
2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 245.68 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 167792308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).