2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide

C27H28FN5O3 — CID 23735131

IUPAC2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)C2C(=O)NCc2cccc(CN)c2)cc1
InChIInChI=1S/C27H28FN5O3/c1-18-8-10-23(11-9-18)31-27(36)33-13-12-32(26(35)21-6-3-7-22(28)15-21)25(33)24(34)30-17-20-5-2-4-19(14-20)16-29/h2-11,14-15,25H,12-13,16-17,29H2,1H3,(H,30,34)(H,31,36)
InChIKeyZOYOJYCCNGMAAZ-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.23
Rot. Bonds6

About 2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide

2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23735131) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is 2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide
PubChem CID23735131
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC Name2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)C2C(=O)NCc2cccc(CN)c2)cc1
InChIInChI=1S/C27H28FN5O3/c1-18-8-10-23(11-9-18)31-27(36)33-13-12-32(26(35)21-6-3-7-22(28)15-21)25(33)24(34)30-17-20-5-2-4-19(14-20)16-29/h2-11,14-15,25H,12-13,16-17,29H2,1H3,(H,30,34)(H,31,36)
InChIKeyZOYOJYCCNGMAAZ-UHFFFAOYSA-N
XLogP3.23
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-1-(3-fluorobenzoyl)-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23996818
2-N-[[3-(aminomethyl)phenyl]methyl]-3-N-(3,4-dichlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
CID 23907719
1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide
CID 23797254
2-N-[[3-(aminomethyl)phenyl]methyl]-3-(4-tert-butylbenzoyl)-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide
CID 23853637
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-fluorobenzoyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carboxamide
CID 23828601
N-[[3-(aminomethyl)phenyl]methyl]-1-(3,5-difluorobenzoyl)-3-(pyridine-4-carbonyl)imidazolidine-2-carboxamide
CID 23963930
N-[[3-(aminomethyl)phenyl]methyl]-1-(6-chloropyridine-3-carbonyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
CID 23937900
2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide
CID 23910151
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbenzoyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carboxamide
CID 23829091
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbenzoyl)-3-(5-nitrofuran-2-carbonyl)imidazolidine-2-carboxamide
CID 23734786
3-(4-fluorophenyl)-3-[[1-(3-methylbenzoyl)-3-[(4-methylphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]propanoic acid
CID 23851237
3-[[1-(3-fluorobenzoyl)-3-[(4-fluorophenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 23964733

Frequently Asked Questions

What is the IUPAC name of 2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide (CID 23735131) is 2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)C2C(=O)NCc2cccc(CN)c2)cc1.
What is the InChIKey of 2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide?
The InChIKey is ZOYOJYCCNGMAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-18-8-10-23(11-9-18)31-27(36)33-13-12-32(26(35)21-6-3-7-22(28)15-21)25(33)24(34)30-17-20-5-2-4-19(14-20)16-29/h2-11,14-15,25H,12-13,16-17,29H2,1H3,(H,30,34)(H,31,36).
What are the key properties of 2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide?
2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 489.55 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23735131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).