N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide

C17H20N6O3 — CID 154740646

IUPACN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1N1CCNC1=O
InChIInChI=1S/C17H20N6O3/c1-26-13-6-5-11(9-12(13)23-8-7-18-17(23)25)15(24)20-16-19-14(21-22-16)10-3-2-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,25)(H2,19,20,21,22,24)
InChIKeyRPTAZZWNJBLWPV-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.86
Rot. Bonds5

About N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide

N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 154740646) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID154740646
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1N1CCNC1=O
InChIInChI=1S/C17H20N6O3/c1-26-13-6-5-11(9-12(13)23-8-7-18-17(23)25)15(24)20-16-19-14(21-22-16)10-3-2-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,25)(H2,19,20,21,22,24)
InChIKeyRPTAZZWNJBLWPV-UHFFFAOYSA-N
XLogP1.86
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119350135
4-methoxy-N-[6-(4-methylphenyl)-2-pyridinyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 167810018
2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696737
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71873314
4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 146084355
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
CID 122147915
N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119997552
(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119363730
1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one
CID 124573528
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid
CID 120532670
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119526785

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide (CID 154740646) is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide is COc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1N1CCNC1=O.
What is the InChIKey of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is RPTAZZWNJBLWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-26-13-6-5-11(9-12(13)23-8-7-18-17(23)25)15(24)20-16-19-14(21-22-16)10-3-2-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,25)(H2,19,20,21,22,24).
What are the key properties of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide?
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 356.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 154740646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).