4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide

C17H17N5O3 — CID 97137408

IUPAC4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
SMILESO=C1CN(c2ccc(C(=O)N[C@@H]3CCc4[nH]ncc4C3)cc2)C(=O)N1
InChIInChI=1S/C17H17N5O3/c23-15-9-22(17(25)20-15)13-4-1-10(2-5-13)16(24)19-12-3-6-14-11(7-12)8-18-21-14/h1-2,4-5,8,12H,3,6-7,9H2,(H,18,21)(H,19,24)(H,20,23,25)/t12-/m1/s1
InChIKeyLVCXSPLYWUTXGZ-GFCCVEGCSA-N
MW339.36 g/mol
LogP0.75
Rot. Bonds3

About 4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide

4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide (PubChem CID 97137408) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide.

Molecular Properties

Compound Name4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
PubChem CID97137408
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
SMILESO=C1CN(c2ccc(C(=O)N[C@@H]3CCc4[nH]ncc4C3)cc2)C(=O)N1
InChIInChI=1S/C17H17N5O3/c23-15-9-22(17(25)20-15)13-4-1-10(2-5-13)16(24)19-12-3-6-14-11(7-12)8-18-21-14/h1-2,4-5,8,12H,3,6-7,9H2,(H,18,21)(H,19,24)(H,20,23,25)/t12-/m1/s1
InChIKeyLVCXSPLYWUTXGZ-GFCCVEGCSA-N
XLogP0.75
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide?
The IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide (CID 97137408) is 4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide.
What is the SMILES notation for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide?
The canonical SMILES for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide is O=C1CN(c2ccc(C(=O)N[C@@H]3CCc4[nH]ncc4C3)cc2)C(=O)N1.
What is the InChIKey of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide?
The InChIKey is LVCXSPLYWUTXGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-15-9-22(17(25)20-15)13-4-1-10(2-5-13)16(24)19-12-3-6-14-11(7-12)8-18-21-14/h1-2,4-5,8,12H,3,6-7,9H2,(H,18,21)(H,19,24)(H,20,23,25)/t12-/m1/s1.
What are the key properties of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide?
4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide has a molecular weight of 339.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide is sourced from PubChem (CID 97137408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).