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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).