4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide

C15H18N4O2 — CID 31533394

IUPAC4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H18N4O2/c1-2-7-17-14(20)10-18-15(21)12-3-5-13(6-4-12)19-9-8-16-11-19/h3-6,8-9,11H,2,7,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyMUBXZBNMZNDSEY-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.13
Rot. Bonds6

About 4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide

4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 31533394) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID31533394
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H18N4O2/c1-2-7-17-14(20)10-18-15(21)12-3-5-13(6-4-12)19-9-8-16-11-19/h3-6,8-9,11H,2,7,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyMUBXZBNMZNDSEY-UHFFFAOYSA-N
XLogP1.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-propylbenzamide
CID 31533072
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide
CID 29028004
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide
CID 135544499
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate
CID 47078318
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531
N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
CID 135478140
N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533323
4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31533502

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 31533394) is 4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is MUBXZBNMZNDSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-7-17-14(20)10-18-15(21)12-3-5-13(6-4-12)19-9-8-16-11-19/h3-6,8-9,11H,2,7,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 286.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 31533394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).