2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine

C19H15N7 — CID 22332182

IUPAC2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cccc(-c4nc5ccc(N)cc5[nH]4)n3)[nH]c2c1
InChIInChI=1S/C19H15N7/c20-10-4-6-12-16(8-10)25-18(23-12)14-2-1-3-15(22-14)19-24-13-7-5-11(21)9-17(13)26-19/h1-9H,20-21H2,(H,23,25)(H,24,26)
InChIKeyMRLDMASHZJNTTF-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.33
Rot. Bonds2

About 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine

2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine (PubChem CID 22332182) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine
PubChem CID22332182
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cccc(-c4nc5ccc(N)cc5[nH]4)n3)[nH]c2c1
InChIInChI=1S/C19H15N7/c20-10-4-6-12-16(8-10)25-18(23-12)14-2-1-3-15(22-14)19-24-13-7-5-11(21)9-17(13)26-19/h1-9H,20-21H2,(H,23,25)(H,24,26)
InChIKeyMRLDMASHZJNTTF-UHFFFAOYSA-N
XLogP3.33
TPSA122.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine (CID 22332182) is 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3cccc(-c4nc5ccc(N)cc5[nH]4)n3)[nH]c2c1.
What is the InChIKey of 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine?
The InChIKey is MRLDMASHZJNTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c20-10-4-6-12-16(8-10)25-18(23-12)14-2-1-3-15(22-14)19-24-13-7-5-11(21)9-17(13)26-19/h1-9H,20-21H2,(H,23,25)(H,24,26).
What are the key properties of 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine?
2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine has a molecular weight of 341.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 22332182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).