4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide

C18H18BrN3O — CID 90570258

IUPAC4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide
SMILESO=C(CCCBr)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C18H18BrN3O/c19-11-6-10-18(23)22(15-7-2-1-3-8-15)14-16-13-20-17-9-4-5-12-21(16)17/h1-5,7-9,12-13H,6,10-11,14H2
InChIKeyZXRVNSHUPRIDQF-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.04
Rot. Bonds6

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

4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide (PubChem CID 90570258) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide.

Molecular Properties

Compound Name4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide
PubChem CID90570258
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide
SMILESO=C(CCCBr)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C18H18BrN3O/c19-11-6-10-18(23)22(15-7-2-1-3-8-15)14-16-13-20-17-9-4-5-12-21(16)17/h1-5,7-9,12-13H,6,10-11,14H2
InChIKeyZXRVNSHUPRIDQF-UHFFFAOYSA-N
XLogP4.04
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide
CID 71802014
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide
CID 90570183
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylacetamide
CID 90570280
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylnaphthalene-1-carboxamide
CID 90570201
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
(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenoxy-N-phenylpropanamide
CID 97416750
5-chloro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylthiophene-2-carboxamide
CID 90570305
3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide
CID 90570185
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea
CID 90570353
1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 90570252
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyphenyl)-1-methyl-N-phenylpyrazole-5-carboxamide
CID 90570312

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide?
The IUPAC name of 4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide (CID 90570258) is 4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide.
What is the SMILES notation for 4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide?
The canonical SMILES for 4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide is O=C(CCCBr)N(Cc1cnc2ccccn12)c1ccccc1.
What is the InChIKey of 4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide?
The InChIKey is ZXRVNSHUPRIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c19-11-6-10-18(23)22(15-7-2-1-3-8-15)14-16-13-20-17-9-4-5-12-21(16)17/h1-5,7-9,12-13H,6,10-11,14H2.
What are the key properties of 4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide?
4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide has a molecular weight of 372.27 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide is sourced from PubChem (CID 90570258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).