N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide

C23H17N5O3 — CID 135750792

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C23H17N5O3/c29-23(24-11-13-5-8-19-20(9-13)31-12-30-19)14-6-7-17-18(10-14)26-22(25-17)21-15-3-1-2-4-16(15)27-28-21/h1-10H,11-12H2,(H,24,29)(H,25,26)(H,27,28)
InChIKeyFXVKOVNFWNZXBR-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.76
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 135750792) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID135750792
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C23H17N5O3/c29-23(24-11-13-5-8-19-20(9-13)31-12-30-19)14-6-7-17-18(10-14)26-22(25-17)21-15-3-1-2-4-16(15)27-28-21/h1-10H,11-12H2,(H,24,29)(H,25,26)(H,27,28)
InChIKeyFXVKOVNFWNZXBR-UHFFFAOYSA-N
XLogP3.76
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide (CID 135750792) is N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is FXVKOVNFWNZXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c29-23(24-11-13-5-8-19-20(9-13)31-12-30-19)14-6-7-17-18(10-14)26-22(25-17)21-15-3-1-2-4-16(15)27-28-21/h1-10H,11-12H2,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135750792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).