(4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one

C22H21F2N9O3 — CID 177480663

IUPAC(4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one
SMILESC[C@@H](N1C(=O)N(c2ccc(-n3cnnn3)cc2)C[C@H]1O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C22H21F2N9O3/c1-14(22(36,10-30-12-25-11-27-30)18-7-2-15(23)8-19(18)24)33-20(34)9-31(21(33)35)16-3-5-17(6-4-16)32-13-26-28-29-32/h2-8,11-14,20,34,36H,9-10H2,1H3/t14-,20-,22-/m1/s1
InChIKeyVRNGGLOYJOFGFW-JEWAVWJGSA-N
MW497.47 g/mol
LogP1.07
Rot. Bonds7

About (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one

(4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one (PubChem CID 177480663) has the molecular formula C22H21F2N9O3 and a molecular weight of 497.47 g/mol. Its IUPAC name is (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one
PubChem CID177480663
Molecular FormulaC22H21F2N9O3
Molecular Weight497.47 g/mol
Exact Mass497.17
IUPAC Name(4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one
SMILESC[C@@H](N1C(=O)N(c2ccc(-n3cnnn3)cc2)C[C@H]1O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C22H21F2N9O3/c1-14(22(36,10-30-12-25-11-27-30)18-7-2-15(23)8-19(18)24)33-20(34)9-31(21(33)35)16-3-5-17(6-4-16)32-13-26-28-29-32/h2-8,11-14,20,34,36H,9-10H2,1H3/t14-,20-,22-/m1/s1
InChIKeyVRNGGLOYJOFGFW-JEWAVWJGSA-N
XLogP1.07
TPSA138.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one
CID 10939776
(E)-2-(2,4-difluorophenyl)-3-methyl-6-[4-(tetrazol-1-yl)phenyl]-1-(1,2,4-triazol-1-yl)hex-5-en-2-ol
CID 163506169
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(tetrazol-2-yl)phenyl]imidazolidin-2-one
CID 3002972
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 3003626
(2R,3R)-2-(2,4-difluorophenyl)-3-(tetrazol-2-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11723569
[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phosphonic acid
CID 175171428
1-(2,4-difluorophenyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]imidazolidin-2-one
CID 54139306
2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-(4-fluorophenyl)-1,2,4-triazol-3-one
CID 10836380
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one
CID 3003628
3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6-fluoro-1,2,3-benzotriazin-4-one
CID 152591140

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one (CID 177480663) is (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one is C[C@@H](N1C(=O)N(c2ccc(-n3cnnn3)cc2)C[C@H]1O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one?
The InChIKey is VRNGGLOYJOFGFW-JEWAVWJGSA-N. The full InChI is InChI=1S/C22H21F2N9O3/c1-14(22(36,10-30-12-25-11-27-30)18-7-2-15(23)8-19(18)24)33-20(34)9-31(21(33)35)16-3-5-17(6-4-16)32-13-26-28-29-32/h2-8,11-14,20,34,36H,9-10H2,1H3/t14-,20-,22-/m1/s1.
What are the key properties of (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one?
(4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one has a molecular weight of 497.47 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 177480663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).