N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide

C21H23BrN4O3 — CID 23884474

IUPACN-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cccc(Br)c3)C2C(=O)NCCN)cc1
InChIInChI=1S/C21H23BrN4O3/c1-14-5-7-15(8-6-14)20(28)25-11-12-26(19(25)18(27)24-10-9-23)21(29)16-3-2-4-17(22)13-16/h2-8,13,19H,9-12,23H2,1H3,(H,24,27)
InChIKeyGVPGTTQIEQAFKB-UHFFFAOYSA-N
MW459.34 g/mol
LogP1.76
Rot. Bonds5

About N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide

N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide (PubChem CID 23884474) has the molecular formula C21H23BrN4O3 and a molecular weight of 459.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
PubChem CID23884474
Molecular FormulaC21H23BrN4O3
Molecular Weight459.34 g/mol
Exact Mass458.10
IUPAC NameN-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cccc(Br)c3)C2C(=O)NCCN)cc1
InChIInChI=1S/C21H23BrN4O3/c1-14-5-7-15(8-6-14)20(28)25-11-12-26(19(25)18(27)24-10-9-23)21(29)16-3-2-4-17(22)13-16/h2-8,13,19H,9-12,23H2,1H3,(H,24,27)
InChIKeyGVPGTTQIEQAFKB-UHFFFAOYSA-N
XLogP1.76
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
CID 2810721
4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 4785801
3-bromo-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 11631953
N-[3-(benzylmethylamino)propyl]-3-bromobenzamide
CID 41306385
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 3380749
4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide
CID 3591440
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 4395430
3-[(4-Bromophenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 16195914
3-bromo-N-(3-(((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)amino)-3-oxopropyl)benzamide
CID 17583649
5-(4-Bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 155529560
5-(4-Bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propylimidazolidine-2,4-dione
CID 155534603
5-(4-Bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 155550893

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide (CID 23884474) is N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(Br)c3)C2C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide?
The InChIKey is GVPGTTQIEQAFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O3/c1-14-5-7-15(8-6-14)20(28)25-11-12-26(19(25)18(27)24-10-9-23)21(29)16-3-2-4-17(22)13-16/h2-8,13,19H,9-12,23H2,1H3,(H,24,27).
What are the key properties of N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide?
N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide has a molecular weight of 459.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23884474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).