2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide

C22H24N6O — CID 135750617

IUPAC2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C22H24N6O/c29-22(23-10-13-28-11-4-1-5-12-28)15-8-9-18-19(14-15)25-21(24-18)20-16-6-2-3-7-17(16)26-27-20/h2-3,6-9,14H,1,4-5,10-13H2,(H,23,29)(H,24,25)(H,26,27)
InChIKeyIICWISMKEOCYPY-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.32
Rot. Bonds5

About 2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide

2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 135750617) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
PubChem CID135750617
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C22H24N6O/c29-22(23-10-13-28-11-4-1-5-12-28)15-8-9-18-19(14-15)25-21(24-18)20-16-6-2-3-7-17(16)26-27-20/h2-3,6-9,14H,1,4-5,10-13H2,(H,23,29)(H,24,25)(H,26,27)
InChIKeyIICWISMKEOCYPY-UHFFFAOYSA-N
XLogP3.32
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide (CID 135750617) is 2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide is O=C(NCCN1CCCCC1)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1.
What is the InChIKey of 2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is IICWISMKEOCYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-22(23-10-13-28-11-4-1-5-12-28)15-8-9-18-19(14-15)25-21(24-18)20-16-6-2-3-7-17(16)26-27-20/h2-3,6-9,14H,1,4-5,10-13H2,(H,23,29)(H,24,25)(H,26,27).
What are the key properties of 2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide?
2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135750617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).