N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide

C20H20N4O2 — CID 56826380

IUPACN-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C20H20N4O2/c25-18(10-5-11-23-20(26)15-6-2-1-3-7-15)24-17-9-4-8-16(14-17)19-21-12-13-22-19/h1-4,6-9,12-14H,5,10-11H2,(H,21,22)(H,23,26)(H,24,25)
InChIKeyWYSGVZLDJBPFNY-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.23
Rot. Bonds7

About N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide

N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide (PubChem CID 56826380) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
PubChem CID56826380
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C20H20N4O2/c25-18(10-5-11-23-20(26)15-6-2-1-3-7-15)24-17-9-4-8-16(14-17)19-21-12-13-22-19/h1-4,6-9,12-14H,5,10-11H2,(H,21,22)(H,23,26)(H,24,25)
InChIKeyWYSGVZLDJBPFNY-UHFFFAOYSA-N
XLogP3.23
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutanoic acid
CID 110471079
2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
CID 108747772
methyl 3-(4-benzamidobutanoylamino)benzoate
CID 39769177
N-(3-benzylsulfanylpropyl)-3-(1H-imidazol-2-yl)benzamide
CID 77082985
4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110474517
3-hydroxy-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110472407
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
CID 39761141
N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119871944
1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
CID 110748430
phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate
CID 110726422

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide (CID 56826380) is N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccccc1)Nc1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide?
The InChIKey is WYSGVZLDJBPFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18(10-5-11-23-20(26)15-6-2-1-3-7-15)24-17-9-4-8-16(14-17)19-21-12-13-22-19/h1-4,6-9,12-14H,5,10-11H2,(H,21,22)(H,23,26)(H,24,25).
What are the key properties of N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide?
N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide is sourced from PubChem (CID 56826380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).