2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine

C21H15N7 — CID 53320050

IUPAC2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C21H15N7/c22-13-3-6-16-19(9-13)28-21(26-16)12-2-5-15-18(8-12)27-20(25-15)11-1-4-14-17(7-11)24-10-23-14/h1-10H,22H2,(H,23,24)(H,25,27)(H,26,28)
InChIKeyJWGNQISTDIVSME-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.23
Rot. Bonds2

About 2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine

2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine (PubChem CID 53320050) has the molecular formula C21H15N7 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine
PubChem CID53320050
Molecular FormulaC21H15N7
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C21H15N7/c22-13-3-6-16-19(9-13)28-21(26-16)12-2-5-15-18(8-12)27-20(25-15)11-1-4-14-17(7-11)24-10-23-14/h1-10H,22H2,(H,23,24)(H,25,27)(H,26,28)
InChIKeyJWGNQISTDIVSME-UHFFFAOYSA-N
XLogP4.23
TPSA112.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine (CID 53320050) is 2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)[nH]c2c1.
What is the InChIKey of 2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine?
The InChIKey is JWGNQISTDIVSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7/c22-13-3-6-16-19(9-13)28-21(26-16)12-2-5-15-18(8-12)27-20(25-15)11-1-4-14-17(7-11)24-10-23-14/h1-10H,22H2,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of 2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine?
2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine has a molecular weight of 365.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 53320050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).