8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H25N5O2 — CID 155540589

IUPAC8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCn1ccnc1CN1CCC2(CC1)NC(=O)N(c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C24H25N5O2/c1-27-16-13-25-21(27)17-28-14-11-24(12-15-28)22(30)29(23(31)26-24)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,13,16H,11-12,14-15,17H2,1H3,(H,26,31)
InChIKeyGQSZWOLSFLBCNU-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.18
Rot. Bonds4

About 8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 155540589) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID155540589
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCn1ccnc1CN1CCC2(CC1)NC(=O)N(c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C24H25N5O2/c1-27-16-13-25-21(27)17-28-14-11-24(12-15-28)22(30)29(23(31)26-24)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,13,16H,11-12,14-15,17H2,1H3,(H,26,31)
InChIKeyGQSZWOLSFLBCNU-UHFFFAOYSA-N
XLogP3.18
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.18
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 8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 155540589) is 8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cn1ccnc1CN1CCC2(CC1)NC(=O)N(c1ccc(-c3ccccc3)cc1)C2=O.
What is the InChIKey of 8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is GQSZWOLSFLBCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-27-16-13-25-21(27)17-28-14-11-24(12-15-28)22(30)29(23(31)26-24)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,13,16H,11-12,14-15,17H2,1H3,(H,26,31).
What are the key properties of 8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 415.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 155540589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).