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N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide

C20H16N6O2 — CID 24985779

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)N1CCc2ccccc21
InChIInChI=1S/C20H16N6O2/c27-18(25-20-23-13-6-2-3-7-14(13)24-20)16-17(22-11-21-16)19(28)26-10-9-12-5-1-4-8-15(12)26/h1-8,11H,9-10H2,(H,21,22)(H2,23,24,25,27)
InChIKeyXRRDOAZXYCYPDR-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.74
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide

N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 24985779) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID24985779
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)N1CCc2ccccc21
InChIInChI=1S/C20H16N6O2/c27-18(25-20-23-13-6-2-3-7-14(13)24-20)16-17(22-11-21-16)19(28)26-10-9-12-5-1-4-8-15(12)26/h1-8,11H,9-10H2,(H,21,22)(H2,23,24,25,27)
InChIKeyXRRDOAZXYCYPDR-UHFFFAOYSA-N
XLogP2.74
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide (CID 24985779) is N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)N1CCc2ccccc21.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is XRRDOAZXYCYPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-18(25-20-23-13-6-2-3-7-14(13)24-20)16-17(22-11-21-16)19(28)26-10-9-12-5-1-4-8-15(12)26/h1-8,11H,9-10H2,(H,21,22)(H2,23,24,25,27).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide?
N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-(2,3-dihydroindole-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 24985779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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