(5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione

C15H15Cl2N5O2 — CID 164633305

IUPAC(5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCCn1nncc1CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C15H15Cl2N5O2/c1-3-22-10(7-18-20-22)8-21-13(23)15(2,19-14(21)24)9-4-5-11(16)12(17)6-9/h4-7H,3,8H2,1-2H3,(H,19,24)/t15-/m1/s1
InChIKeyYTJRURUXRNKVTE-OAHLLOKOSA-N
MW368.22 g/mol
LogP2.57
Rot. Bonds4

About (5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 164633305) has the molecular formula C15H15Cl2N5O2 and a molecular weight of 368.22 g/mol. Its IUPAC name is (5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID164633305
Molecular FormulaC15H15Cl2N5O2
Molecular Weight368.22 g/mol
Exact Mass367.06
IUPAC Name(5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCCn1nncc1CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C15H15Cl2N5O2/c1-3-22-10(7-18-20-22)8-21-13(23)15(2,19-14(21)24)9-4-5-11(16)12(17)6-9/h4-7H,3,8H2,1-2H3,(H,19,24)/t15-/m1/s1
InChIKeyYTJRURUXRNKVTE-OAHLLOKOSA-N
XLogP2.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 52.57
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 (5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 164633305) is (5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione is CCn1nncc1CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of (5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is YTJRURUXRNKVTE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15Cl2N5O2/c1-3-22-10(7-18-20-22)8-21-13(23)15(2,19-14(21)24)9-4-5-11(16)12(17)6-9/h4-7H,3,8H2,1-2H3,(H,19,24)/t15-/m1/s1.
What are the key properties of (5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 368.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,4-dichlorophenyl)-3-[(3-ethyltriazol-4-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 164633305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).