N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide

C24H27N3O3 — CID 166186523

IUPACN-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide
SMILESCC(=O)CCc1ccc(OCc2cccc(C(=O)NC(C)Cn3ccnc3)c2)cc1
InChIInChI=1S/C24H27N3O3/c1-18(15-27-13-12-25-17-27)26-24(29)22-5-3-4-21(14-22)16-30-23-10-8-20(9-11-23)7-6-19(2)28/h3-5,8-14,17-18H,6-7,15-16H2,1-2H3,(H,26,29)
InChIKeyHPNWYHJHHODWES-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.80
Rot. Bonds10

About N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide

N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide (PubChem CID 166186523) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide
PubChem CID166186523
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide
SMILESCC(=O)CCc1ccc(OCc2cccc(C(=O)NC(C)Cn3ccnc3)c2)cc1
InChIInChI=1S/C24H27N3O3/c1-18(15-27-13-12-25-17-27)26-24(29)22-5-3-4-21(14-22)16-30-23-10-8-20(9-11-23)7-6-19(2)28/h3-5,8-14,17-18H,6-7,15-16H2,1-2H3,(H,26,29)
InChIKeyHPNWYHJHHODWES-UHFFFAOYSA-N
XLogP3.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
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CID 51087077
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
CID 104627718
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
3-(3-imidazol-1-ylpropanoylamino)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55987091
N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide
CID 145495218
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025352
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide (CID 166186523) is N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide is CC(=O)CCc1ccc(OCc2cccc(C(=O)NC(C)Cn3ccnc3)c2)cc1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide?
The InChIKey is HPNWYHJHHODWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18(15-27-13-12-25-17-27)26-24(29)22-5-3-4-21(14-22)16-30-23-10-8-20(9-11-23)7-6-19(2)28/h3-5,8-14,17-18H,6-7,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide?
N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-3-[[4-(3-oxobutyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 166186523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).