1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide

C24H20N6O3 — CID 165146902

IUPAC1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(NC(=O)c1n[nH]c3ccccc13)n2C[C@@H](O)c1ccccc1
InChIInChI=1S/C24H20N6O3/c25-22(32)15-10-11-19-18(12-15)26-24(30(19)13-20(31)14-6-2-1-3-7-14)27-23(33)21-16-8-4-5-9-17(16)28-29-21/h1-12,20,31H,13H2,(H2,25,32)(H,28,29)(H,26,27,33)/t20-/m1/s1
InChIKeyJZSLSRPGGSGFDY-HXUWFJFHSA-N
MW440.46 g/mol
LogP3.00
Rot. Bonds6

About 1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide

1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 165146902) has the molecular formula C24H20N6O3 and a molecular weight of 440.46 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide
PubChem CID165146902
Molecular FormulaC24H20N6O3
Molecular Weight440.46 g/mol
Exact Mass440.16
IUPAC Name1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(NC(=O)c1n[nH]c3ccccc13)n2C[C@@H](O)c1ccccc1
InChIInChI=1S/C24H20N6O3/c25-22(32)15-10-11-19-18(12-15)26-24(30(19)13-20(31)14-6-2-1-3-7-14)27-23(33)21-16-8-4-5-9-17(16)28-29-21/h1-12,20,31H,13H2,(H2,25,32)(H,28,29)(H,26,27,33)/t20-/m1/s1
InChIKeyJZSLSRPGGSGFDY-HXUWFJFHSA-N
XLogP3.00
TPSA138.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of 1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide (CID 165146902) is 1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(NC(=O)c1n[nH]c3ccccc13)n2C[C@@H](O)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is JZSLSRPGGSGFDY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H20N6O3/c25-22(32)15-10-11-19-18(12-15)26-24(30(19)13-20(31)14-6-2-1-3-7-14)27-23(33)21-16-8-4-5-9-17(16)28-29-21/h1-12,20,31H,13H2,(H2,25,32)(H,28,29)(H,26,27,33)/t20-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide?
1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-phenylethyl]-2-(1H-indazole-3-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 165146902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).