N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide

C26H24N4O4 — CID 138662082

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H24N4O4/c1-13(2)14-10-11-15-20(12-14)34-26(33)16-6-5-7-17(27)21(16)22(31)25(15,26)30-24(32)23-28-18-8-3-4-9-19(18)29-23/h3-4,6,8-13,33H,5,7,27H2,1-2H3,(H,28,29)(H,30,32)
InChIKeyNXPOGOJCYCWZCJ-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.91
Rot. Bonds3

About N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide (PubChem CID 138662082) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide
PubChem CID138662082
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H24N4O4/c1-13(2)14-10-11-15-20(12-14)34-26(33)16-6-5-7-17(27)21(16)22(31)25(15,26)30-24(32)23-28-18-8-3-4-9-19(18)29-23/h3-4,6,8-13,33H,5,7,27H2,1-2H3,(H,28,29)(H,30,32)
InChIKeyNXPOGOJCYCWZCJ-UHFFFAOYSA-N
XLogP2.91
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide
CID 138660843
(6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide
CID 138660585
N-(4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)cinnoline-4-carboxamide
CID 122603397
N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide
CID 90097621
N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)naphthalene-2-carboxamide
CID 86716918
N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide
CID 118531338
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-methylpyridine-4-carboxamide
CID 122603339
N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carbothioamide
CID 71488468
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 122603348
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 122603390
N-(4b-hydroxy-1-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-9H-xanthene-9-carboxamide
CID 86716990
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide (CID 138662082) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide is CC(C)c1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide?
The InChIKey is NXPOGOJCYCWZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-13(2)14-10-11-15-20(12-14)34-26(33)16-6-5-7-17(27)21(16)22(31)25(15,26)30-24(32)23-28-18-8-3-4-9-19(18)29-23/h3-4,6,8-13,33H,5,7,27H2,1-2H3,(H,28,29)(H,30,32).
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 2.91, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 138662082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).