[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate

C18H15N5O4 — CID 45356093

IUPAC[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate
SMILESCC(OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H15N5O4/c1-9(27-17(25)15-11-4-2-3-5-12(11)22-23-15)16(24)19-10-6-7-13-14(8-10)21-18(26)20-13/h2-9H,1H3,(H,19,24)(H,22,23)(H2,20,21,26)
InChIKeyZTLRIBWGGNIMPK-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.92
Rot. Bonds4

About [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate

[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate (PubChem CID 45356093) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate
PubChem CID45356093
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate
SMILESCC(OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H15N5O4/c1-9(27-17(25)15-11-4-2-3-5-12(11)22-23-15)16(24)19-10-6-7-13-14(8-10)21-18(26)20-13/h2-9H,1H3,(H,19,24)(H,22,23)(H2,20,21,26)
InChIKeyZTLRIBWGGNIMPK-UHFFFAOYSA-N
XLogP1.92
TPSA132.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate with MolForge

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Related Compounds

[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
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[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2651718
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372567
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 1H-indazole-3-carboxylate
CID 25356137
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 1H-indazole-3-carboxylate
CID 7956494
2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 51133947
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630737
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 9383040
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8951129
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoline-8-carboxylate
CID 9061930
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate?
The IUPAC name of [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate (CID 45356093) is [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate?
The canonical SMILES for [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate is CC(OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate?
The InChIKey is ZTLRIBWGGNIMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-9(27-17(25)15-11-4-2-3-5-12(11)22-23-15)16(24)19-10-6-7-13-14(8-10)21-18(26)20-13/h2-9H,1H3,(H,19,24)(H,22,23)(H2,20,21,26).
What are the key properties of [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate?
[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate has a molecular weight of 365.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 45356093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).