3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide

C21H15F2N3O — CID 90570185

IUPAC3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide
SMILESO=C(c1ccc(F)c(F)c1)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C21H15F2N3O/c22-18-10-9-15(12-19(18)23)21(27)26(16-6-2-1-3-7-16)14-17-13-24-20-8-4-5-11-25(17)20/h1-13H,14H2
InChIKeyMEFFUAVBIKTWHX-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.46
Rot. Bonds4

About 3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide

3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide (PubChem CID 90570185) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide
PubChem CID90570185
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide
SMILESO=C(c1ccc(F)c(F)c1)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C21H15F2N3O/c22-18-10-9-15(12-19(18)23)21(27)26(16-6-2-1-3-7-16)14-17-13-24-20-8-4-5-11-25(17)20/h1-13H,14H2
InChIKeyMEFFUAVBIKTWHX-UHFFFAOYSA-N
XLogP4.46
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,5-dimethyl-N-phenylbenzamide
CID 90570160
methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate
CID 90570118
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide
CID 90570183
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylnaphthalene-1-carboxamide
CID 90570201
5-chloro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylthiophene-2-carboxamide
CID 90570305
4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide
CID 90570258
2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide
CID 71802014
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea
CID 90570353
(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenoxy-N-phenylpropanamide
CID 97416750
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyphenyl)-1-methyl-N-phenylpyrazole-5-carboxamide
CID 90570312
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylacetamide
CID 90570280
1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 90570252

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide?
The IUPAC name of 3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide (CID 90570185) is 3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide.
What is the SMILES notation for 3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide?
The canonical SMILES for 3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide is O=C(c1ccc(F)c(F)c1)N(Cc1cnc2ccccn12)c1ccccc1.
What is the InChIKey of 3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide?
The InChIKey is MEFFUAVBIKTWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c22-18-10-9-15(12-19(18)23)21(27)26(16-6-2-1-3-7-16)14-17-13-24-20-8-4-5-11-25(17)20/h1-13H,14H2.
What are the key properties of 3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide?
3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide has a molecular weight of 363.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide is sourced from PubChem (CID 90570185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).