(5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione

C16H19BrN6O2 — CID 7704181

IUPAC(5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCCCCn1nnnc1CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C16H19BrN6O2/c1-3-4-8-23-13(19-20-21-23)10-22-14(24)16(2,18-15(22)25)11-6-5-7-12(17)9-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,25)/t16-/m1/s1
InChIKeyVFZISYORDJNSAR-MRXNPFEDSA-N
MW407.27 g/mol
LogP2.20
Rot. Bonds6

About (5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7704181) has the molecular formula C16H19BrN6O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is (5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID7704181
Molecular FormulaC16H19BrN6O2
Molecular Weight407.27 g/mol
Exact Mass406.08
IUPAC Name(5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCCCCn1nnnc1CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C16H19BrN6O2/c1-3-4-8-23-13(19-20-21-23)10-22-14(24)16(2,18-15(22)25)11-6-5-7-12(17)9-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,25)/t16-/m1/s1
InChIKeyVFZISYORDJNSAR-MRXNPFEDSA-N
XLogP2.20
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 52.20
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

3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 42886271
(5S)-5-(4-tert-butylphenyl)-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
CID 41188429
3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51209114
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
CID 8571381
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7178072
2-[3-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
CID 43028357
4-[[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2117374
5-(3-bromophenyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3596567
4-[[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 6591353

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 7704181) is (5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione is CCCCn1nnnc1CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O.
What is the InChIKey of (5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is VFZISYORDJNSAR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19BrN6O2/c1-3-4-8-23-13(19-20-21-23)10-22-14(24)16(2,18-15(22)25)11-6-5-7-12(17)9-11/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,25)/t16-/m1/s1.
What are the key properties of (5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 407.27 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-bromophenyl)-3-[(1-butyltetrazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7704181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).