3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione

C18H22ClN5O2 — CID 166330037

IUPAC3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)n1cc(CC2NC(=O)N(CCCc3cccc(Cl)c3)C2=O)nn1
InChIInChI=1S/C18H22ClN5O2/c1-12(2)24-11-15(21-22-24)10-16-17(25)23(18(26)20-16)8-4-6-13-5-3-7-14(19)9-13/h3,5,7,9,11-12,16H,4,6,8,10H2,1-2H3,(H,20,26)
InChIKeyNDMXAHXUPBSQJM-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.61
Rot. Bonds7

About 3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione

3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 166330037) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID166330037
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)n1cc(CC2NC(=O)N(CCCc3cccc(Cl)c3)C2=O)nn1
InChIInChI=1S/C18H22ClN5O2/c1-12(2)24-11-15(21-22-24)10-16-17(25)23(18(26)20-16)8-4-6-13-5-3-7-14(19)9-13/h3,5,7,9,11-12,16H,4,6,8,10H2,1-2H3,(H,20,26)
InChIKeyNDMXAHXUPBSQJM-UHFFFAOYSA-N
XLogP2.61
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione (CID 166330037) is 3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione is CC(C)n1cc(CC2NC(=O)N(CCCc3cccc(Cl)c3)C2=O)nn1.
What is the InChIKey of 3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is NDMXAHXUPBSQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-12(2)24-11-15(21-22-24)10-16-17(25)23(18(26)20-16)8-4-6-13-5-3-7-14(19)9-13/h3,5,7,9,11-12,16H,4,6,8,10H2,1-2H3,(H,20,26).
What are the key properties of 3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 375.86 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 166330037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).