N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide

C24H22N6O — CID 59522562

IUPACN-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide
SMILESCC(C)c1ccccc1Nc1nc2ccc(NC(=O)c3ccc4cn[nH]c4c3)cc2[nH]1
InChIInChI=1S/C24H22N6O/c1-14(2)18-5-3-4-6-19(18)27-24-28-20-10-9-17(12-22(20)29-24)26-23(31)15-7-8-16-13-25-30-21(16)11-15/h3-14H,1-2H3,(H,25,30)(H,26,31)(H2,27,28,29)
InChIKeyFGWBYJKTBBIOPV-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.56
Rot. Bonds5

About N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide

N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide (PubChem CID 59522562) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide
PubChem CID59522562
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC NameN-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide
SMILESCC(C)c1ccccc1Nc1nc2ccc(NC(=O)c3ccc4cn[nH]c4c3)cc2[nH]1
InChIInChI=1S/C24H22N6O/c1-14(2)18-5-3-4-6-19(18)27-24-28-20-10-9-17(12-22(20)29-24)26-23(31)15-7-8-16-13-25-30-21(16)11-15/h3-14H,1-2H3,(H,25,30)(H,26,31)(H2,27,28,29)
InChIKeyFGWBYJKTBBIOPV-UHFFFAOYSA-N
XLogP5.56
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide (CID 59522562) is N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide is CC(C)c1ccccc1Nc1nc2ccc(NC(=O)c3ccc4cn[nH]c4c3)cc2[nH]1.
What is the InChIKey of N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide?
The InChIKey is FGWBYJKTBBIOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-14(2)18-5-3-4-6-19(18)27-24-28-20-10-9-17(12-22(20)29-24)26-23(31)15-7-8-16-13-25-30-21(16)11-15/h3-14H,1-2H3,(H,25,30)(H,26,31)(H2,27,28,29).
What are the key properties of N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide?
N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 5.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 59522562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).