1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine

C20H16N6 — CID 14688882

IUPAC1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine
SMILESc1ccc2[nH]c(Nc3ccc(Nc4nc5ccccc5[nH]4)cc3)nc2c1
InChIInChI=1S/C20H16N6/c1-2-6-16-15(5-1)23-19(24-16)21-13-9-11-14(12-10-13)22-20-25-17-7-3-4-8-18(17)26-20/h1-12H,(H2,21,23,24)(H2,22,25,26)
InChIKeyMOWJLIRPLBUMJZ-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.93
Rot. Bonds4

About 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine

1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine (PubChem CID 14688882) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine
PubChem CID14688882
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine
SMILESc1ccc2[nH]c(Nc3ccc(Nc4nc5ccccc5[nH]4)cc3)nc2c1
InChIInChI=1S/C20H16N6/c1-2-6-16-15(5-1)23-19(24-16)21-13-9-11-14(12-10-13)22-20-25-17-7-3-4-8-18(17)26-20/h1-12H,(H2,21,23,24)(H2,22,25,26)
InChIKeyMOWJLIRPLBUMJZ-UHFFFAOYSA-N
XLogP4.93
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine (CID 14688882) is 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine is c1ccc2[nH]c(Nc3ccc(Nc4nc5ccccc5[nH]4)cc3)nc2c1.
What is the InChIKey of 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine?
The InChIKey is MOWJLIRPLBUMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c1-2-6-16-15(5-1)23-19(24-16)21-13-9-11-14(12-10-13)22-20-25-17-7-3-4-8-18(17)26-20/h1-12H,(H2,21,23,24)(H2,22,25,26).
What are the key properties of 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine?
1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine has a molecular weight of 340.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 14688882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).