4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine

C18H17N7 — CID 11370952

IUPAC4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
SMILESc1c[nH]c(Nc2ccc(Nc3ccc(Nc4ncc[nH]4)cc3)cc2)n1
InChIInChI=1S/C18H17N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-12,23H,(H2,19,20,24)(H2,21,22,25)
InChIKeyJHMXUERQMCJRHG-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.36
Rot. Bonds6

About 4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine

4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine (PubChem CID 11370952) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
PubChem CID11370952
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
SMILESc1c[nH]c(Nc2ccc(Nc3ccc(Nc4ncc[nH]4)cc3)cc2)n1
InChIInChI=1S/C18H17N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-12,23H,(H2,19,20,24)(H2,21,22,25)
InChIKeyJHMXUERQMCJRHG-UHFFFAOYSA-N
XLogP4.36
TPSA93.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine (CID 11370952) is 4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine is c1c[nH]c(Nc2ccc(Nc3ccc(Nc4ncc[nH]4)cc3)cc2)n1.
What is the InChIKey of 4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine?
The InChIKey is JHMXUERQMCJRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-12,23H,(H2,19,20,24)(H2,21,22,25).
What are the key properties of 4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine?
4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine has a molecular weight of 331.38 g/mol, XLogP of 4.36, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-imidazol-2-yl)-1-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 11370952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).