N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

C26H25N3O4 — CID 55579517

IUPACN-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESCC(NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C26H25N3O4/c1-18(19-9-10-23-24(15-19)32-13-5-12-31-23)27-26(30)20-6-4-7-22(14-20)33-17-21-16-29-11-3-2-8-25(29)28-21/h2-4,6-11,14-16,18H,5,12-13,17H2,1H3,(H,27,30)
InChIKeyOVSFPFAIVZWXGS-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.57
Rot. Bonds6

About N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (PubChem CID 55579517) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
PubChem CID55579517
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESCC(NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C26H25N3O4/c1-18(19-9-10-23-24(15-19)32-13-5-12-31-23)27-26(30)20-6-4-7-22(14-20)33-17-21-16-29-11-3-2-8-25(29)28-21/h2-4,6-11,14-16,18H,5,12-13,17H2,1H3,(H,27,30)
InChIKeyOVSFPFAIVZWXGS-UHFFFAOYSA-N
XLogP4.57
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 40920170
N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 51111213
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-4-methoxybutan-2-yl]benzamide
CID 52843285
(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 119360221
(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]hexanoic acid
CID 120615000
N-[1-(3-acetamidophenyl)ethyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55581211
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 24542075
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybenzamide
CID 18155824
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25351615
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55576832

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (CID 55579517) is N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is CC(NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccc2c(c1)OCCCO2.
What is the InChIKey of N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The InChIKey is OVSFPFAIVZWXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-18(19-9-10-23-24(15-19)32-13-5-12-31-23)27-26(30)20-6-4-7-22(14-20)33-17-21-16-29-11-3-2-8-25(29)28-21/h2-4,6-11,14-16,18H,5,12-13,17H2,1H3,(H,27,30).
What are the key properties of N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide has a molecular weight of 443.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 55579517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).