N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

C17H21N5O2 — CID 139000916

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCn1cc(CN(C)C(=O)c2cccc(N3CCNC3=O)c2)cn1
InChIInChI=1S/C17H21N5O2/c1-3-21-12-13(10-19-21)11-20(2)16(23)14-5-4-6-15(9-14)22-8-7-18-17(22)24/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H,18,24)
InChIKeySEFOJBCOANCODO-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.70
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 139000916) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID139000916
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCn1cc(CN(C)C(=O)c2cccc(N3CCNC3=O)c2)cn1
InChIInChI=1S/C17H21N5O2/c1-3-21-12-13(10-19-21)11-20(2)16(23)14-5-4-6-15(9-14)22-8-7-18-17(22)24/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H,18,24)
InChIKeySEFOJBCOANCODO-UHFFFAOYSA-N
XLogP1.70
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71940813
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71939923
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39891647
N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 138997006
3-bromo-5-[(1-ethylpyrazol-4-yl)methyl-methylcarbamoyl]benzoic acid
CID 136544031
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 146135248
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 25369030
N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 47084250
4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid
CID 119226008

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (CID 139000916) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is CCn1cc(CN(C)C(=O)c2cccc(N3CCNC3=O)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is SEFOJBCOANCODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-21-12-13(10-19-21)11-20(2)16(23)14-5-4-6-15(9-14)22-8-7-18-17(22)24/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H,18,24).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 327.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 139000916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).