5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione

C20H24ClN7O3 — CID 166331717

IUPAC5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESNCc1cn(C2CCCN(C(=O)CCC3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)nn1
InChIInChI=1S/C20H24ClN7O3/c21-13-3-5-15(6-4-13)28-19(30)17(23-20(28)31)7-8-18(29)26-9-1-2-16(12-26)27-11-14(10-22)24-25-27/h3-6,11,16-17H,1-2,7-10,12,22H2,(H,23,31)
InChIKeyMUTWVHDXIVIEHK-UHFFFAOYSA-N
MW445.91 g/mol
LogP1.46
Rot. Bonds6

About 5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione

5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 166331717) has the molecular formula C20H24ClN7O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is 5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione
PubChem CID166331717
Molecular FormulaC20H24ClN7O3
Molecular Weight445.91 g/mol
Exact Mass445.16
IUPAC Name5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESNCc1cn(C2CCCN(C(=O)CCC3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)nn1
InChIInChI=1S/C20H24ClN7O3/c21-13-3-5-15(6-4-13)28-19(30)17(23-20(28)31)7-8-18(29)26-9-1-2-16(12-26)27-11-14(10-22)24-25-27/h3-6,11,16-17H,1-2,7-10,12,22H2,(H,23,31)
InChIKeyMUTWVHDXIVIEHK-UHFFFAOYSA-N
XLogP1.46
TPSA126.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-5-[3-[4-[2-[4-(3,5-dichlorophenyl)triazol-1-yl]ethyl]azepan-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 166344508
1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 177250754
(5S)-5-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
CID 124699464
(5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 124591197
N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride
CID 119643950
3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 56814098
[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 167786897
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514778
(2S)-2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methylpentanoic acid
CID 119362153
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45250926
1-[(3R)-1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 26398605

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione (CID 166331717) is 5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione is NCc1cn(C2CCCN(C(=O)CCC3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)nn1.
What is the InChIKey of 5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is MUTWVHDXIVIEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN7O3/c21-13-3-5-15(6-4-13)28-19(30)17(23-20(28)31)7-8-18(29)26-9-1-2-16(12-26)27-11-14(10-22)24-25-27/h3-6,11,16-17H,1-2,7-10,12,22H2,(H,23,31).
What are the key properties of 5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 445.91 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 166331717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).