(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

C19H17ClN6O3 — CID 41111698

IUPAC(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O
InChIInChI=1S/C19H17ClN6O3/c1-19(13-4-2-6-15(10-13)26-12-21-23-24-26)17(27)25(18(28)22-19)8-9-29-16-7-3-5-14(20)11-16/h2-7,10-12H,8-9H2,1H3,(H,22,28)/t19-/m1/s1
InChIKeyJUIXIOAGDJHRQK-LJQANCHMSA-N
MW412.84 g/mol
LogP2.16
Rot. Bonds6

About (5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 41111698) has the molecular formula C19H17ClN6O3 and a molecular weight of 412.84 g/mol. Its IUPAC name is (5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
PubChem CID41111698
Molecular FormulaC19H17ClN6O3
Molecular Weight412.84 g/mol
Exact Mass412.11
IUPAC Name(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O
InChIInChI=1S/C19H17ClN6O3/c1-19(13-4-2-6-15(10-13)26-12-21-23-24-26)17(27)25(18(28)22-19)8-9-29-16-7-3-5-14(20)11-16/h2-7,10-12H,8-9H2,1H3,(H,22,28)/t19-/m1/s1
InChIKeyJUIXIOAGDJHRQK-LJQANCHMSA-N
XLogP2.16
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 52.16
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

3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918836
(5S)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40855979
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41132317
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
(5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40804493
(5S)-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41082147
3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 60617429
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41196469
2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide
CID 42920903
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918844
(5S)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 7131300

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (CID 41111698) is (5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O.
What is the InChIKey of (5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is JUIXIOAGDJHRQK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17ClN6O3/c1-19(13-4-2-6-15(10-13)26-12-21-23-24-26)17(27)25(18(28)22-19)8-9-29-16-7-3-5-14(20)11-16/h2-7,10-12H,8-9H2,1H3,(H,22,28)/t19-/m1/s1.
What are the key properties of (5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 412.84 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 41111698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).