(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione

C16H18F2N6O3 — CID 8571381

IUPAC(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C16H18F2N6O3/c1-3-8-24-12(20-21-22-24)9-23-13(25)16(2,19-15(23)26)10-4-6-11(7-5-10)27-14(17)18/h4-7,14H,3,8-9H2,1-2H3,(H,19,26)/t16-/m1/s1
InChIKeyNXFQOKVXYHLTSL-MRXNPFEDSA-N
MW380.36 g/mol
LogP1.65
Rot. Bonds7

About (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 8571381) has the molecular formula C16H18F2N6O3 and a molecular weight of 380.36 g/mol. Its IUPAC name is (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID8571381
Molecular FormulaC16H18F2N6O3
Molecular Weight380.36 g/mol
Exact Mass380.14
IUPAC Name(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C16H18F2N6O3/c1-3-8-24-12(20-21-22-24)9-23-13(25)16(2,19-15(23)26)10-4-6-11(7-5-10)27-14(17)18/h4-7,14H,3,8-9H2,1-2H3,(H,19,26)/t16-/m1/s1
InChIKeyNXFQOKVXYHLTSL-MRXNPFEDSA-N
XLogP1.65
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
CID 41188429
(5R)-3-butyl-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 51932049
3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 17404717
5-[4-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42964381
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7181454
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443511
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443513
N-[(2R)-butan-2-yl]-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703220
(5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 7704181
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 2409253
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(3-propan-2-yloxyphenyl)methyl]imidazolidine-2,4-dione
CID 56684761
N,N-dibutyl-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571398

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione (CID 8571381) is (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione is CCCn1nnnc1CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is NXFQOKVXYHLTSL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18F2N6O3/c1-3-8-24-12(20-21-22-24)9-23-13(25)16(2,19-15(23)26)10-4-6-11(7-5-10)27-14(17)18/h4-7,14H,3,8-9H2,1-2H3,(H,19,26)/t16-/m1/s1.
What are the key properties of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 380.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 8571381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).