2-N-phenylbenzimidazole-1,2-diamine

C13H12N4 — CID 827914

IUPAC2-N-phenylbenzimidazole-1,2-diamine
SMILESNn1c(Nc2ccccc2)nc2ccccc21
InChIInChI=1S/C13H12N4/c14-17-12-9-5-4-8-11(12)16-13(17)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
InChIKeyPBEIJMIMHTVPST-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.49
Rot. Bonds2

About 2-N-phenylbenzimidazole-1,2-diamine

2-N-phenylbenzimidazole-1,2-diamine (PubChem CID 827914) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-N-phenylbenzimidazole-1,2-diamine.

Molecular Properties

Compound Name2-N-phenylbenzimidazole-1,2-diamine
PubChem CID827914
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-N-phenylbenzimidazole-1,2-diamine
SMILESNn1c(Nc2ccccc2)nc2ccccc21
InChIInChI=1S/C13H12N4/c14-17-12-9-5-4-8-11(12)16-13(17)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
InChIKeyPBEIJMIMHTVPST-UHFFFAOYSA-N
XLogP2.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-phenylbenzimidazole-1,2-diamine?
The IUPAC name of 2-N-phenylbenzimidazole-1,2-diamine (CID 827914) is 2-N-phenylbenzimidazole-1,2-diamine.
What is the SMILES notation for 2-N-phenylbenzimidazole-1,2-diamine?
The canonical SMILES for 2-N-phenylbenzimidazole-1,2-diamine is Nn1c(Nc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-N-phenylbenzimidazole-1,2-diamine?
The InChIKey is PBEIJMIMHTVPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-17-12-9-5-4-8-11(12)16-13(17)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16).
What are the key properties of 2-N-phenylbenzimidazole-1,2-diamine?
2-N-phenylbenzimidazole-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenylbenzimidazole-1,2-diamine is sourced from PubChem (CID 827914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).