4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide

C16H22N4O2 — CID 126829041

IUPAC4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide
SMILESCCCCN(C)c1ccc(C(=O)NC2=NCC(=O)N2C)cc1
InChIInChI=1S/C16H22N4O2/c1-4-5-10-19(2)13-8-6-12(7-9-13)15(22)18-16-17-11-14(21)20(16)3/h6-9H,4-5,10-11H2,1-3H3,(H,17,18,22)
InChIKeyLXAHIXGOERJSIA-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.48
Rot. Bonds5

About 4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide

4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide (PubChem CID 126829041) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide
PubChem CID126829041
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide
SMILESCCCCN(C)c1ccc(C(=O)NC2=NCC(=O)N2C)cc1
InChIInChI=1S/C16H22N4O2/c1-4-5-10-19(2)13-8-6-12(7-9-13)15(22)18-16-17-11-14(21)20(16)3/h6-9H,4-5,10-11H2,1-3H3,(H,17,18,22)
InChIKeyLXAHIXGOERJSIA-UHFFFAOYSA-N
XLogP1.48
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
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CID 52822973
4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide
CID 60611612
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-[butyl(methyl)amino]benzamide
CID 120566475
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
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[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 126830084
5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365
(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
CID 119374740

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide (CID 126829041) is 4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide is CCCCN(C)c1ccc(C(=O)NC2=NCC(=O)N2C)cc1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide?
The InChIKey is LXAHIXGOERJSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-5-10-19(2)13-8-6-12(7-9-13)15(22)18-16-17-11-14(21)20(16)3/h6-9H,4-5,10-11H2,1-3H3,(H,17,18,22).
What are the key properties of 4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide?
4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide has a molecular weight of 302.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide is sourced from PubChem (CID 126829041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).