(5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione

C19H26N6O2 — CID 41188429

IUPAC(5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C19H26N6O2/c1-6-11-25-15(21-22-23-25)12-24-16(26)19(5,20-17(24)27)14-9-7-13(8-10-14)18(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,20,27)/t19-/m0/s1
InChIKeyBNGSSKASPATHOH-IBGZPJMESA-N
MW370.46 g/mol
LogP2.35
Rot. Bonds5

About (5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione

(5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 41188429) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID41188429
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C19H26N6O2/c1-6-11-25-15(21-22-23-25)12-24-16(26)19(5,20-17(24)27)14-9-7-13(8-10-14)18(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,20,27)/t19-/m0/s1
InChIKeyBNGSSKASPATHOH-IBGZPJMESA-N
XLogP2.35
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
CID 8571381
(5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 7704181
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595987
3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51209114
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7812605
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 52531636
5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 75858248
3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 42886271
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 43029188
4-[(4S)-4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl]benzonitrile
CID 40972073
(5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
CID 41157273

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione (CID 41188429) is (5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione is CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of (5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is BNGSSKASPATHOH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N6O2/c1-6-11-25-15(21-22-23-25)12-24-16(26)19(5,20-17(24)27)14-9-7-13(8-10-14)18(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,20,27)/t19-/m0/s1.
What are the key properties of (5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 370.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 41188429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).