(2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate

C18H14N4O2 — CID 70248814

IUPAC(2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate
SMILESNc1cc2ccccc2cc1C(=O)On1c(N)nc2ccccc21
InChIInChI=1S/C18H14N4O2/c19-14-10-12-6-2-1-5-11(12)9-13(14)17(23)24-22-16-8-4-3-7-15(16)21-18(22)20/h1-10H,19H2,(H2,20,21)
InChIKeyZPPXIQNAIGPZSS-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.62
Rot. Bonds2

About (2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate

(2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate (PubChem CID 70248814) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate
PubChem CID70248814
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name(2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate
SMILESNc1cc2ccccc2cc1C(=O)On1c(N)nc2ccccc21
InChIInChI=1S/C18H14N4O2/c19-14-10-12-6-2-1-5-11(12)9-13(14)17(23)24-22-16-8-4-3-7-15(16)21-18(22)20/h1-10H,19H2,(H2,20,21)
InChIKeyZPPXIQNAIGPZSS-UHFFFAOYSA-N
XLogP2.62
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate?
The IUPAC name of (2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate (CID 70248814) is (2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate.
What is the SMILES notation for (2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate?
The canonical SMILES for (2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate is Nc1cc2ccccc2cc1C(=O)On1c(N)nc2ccccc21.
What is the InChIKey of (2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate?
The InChIKey is ZPPXIQNAIGPZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-14-10-12-6-2-1-5-11(12)9-13(14)17(23)24-22-16-8-4-3-7-15(16)21-18(22)20/h1-10H,19H2,(H2,20,21).
What are the key properties of (2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate?
(2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate has a molecular weight of 318.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate is sourced from PubChem (CID 70248814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).