4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine

C20H25N7O2 — CID 53325954

IUPAC4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine
SMILESCON1CCN=C1Nc1ccc(Nc2ccc(NC3=NCCN3OC)cc2)cc1
InChIInChI=1S/C20H25N7O2/c1-28-26-13-11-21-19(26)24-17-7-3-15(4-8-17)23-16-5-9-18(10-6-16)25-20-22-12-14-27(20)29-2/h3-10,23H,11-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLPIGVEKMIXCXBK-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.72
Rot. Bonds6

About 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine

4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine (PubChem CID 53325954) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine
PubChem CID53325954
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine
SMILESCON1CCN=C1Nc1ccc(Nc2ccc(NC3=NCCN3OC)cc2)cc1
InChIInChI=1S/C20H25N7O2/c1-28-26-13-11-21-19(26)24-17-7-3-15(4-8-17)23-16-5-9-18(10-6-16)25-20-22-12-14-27(20)29-2/h3-10,23H,11-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLPIGVEKMIXCXBK-UHFFFAOYSA-N
XLogP2.72
TPSA85.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine (CID 53325954) is 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine is CON1CCN=C1Nc1ccc(Nc2ccc(NC3=NCCN3OC)cc2)cc1.
What is the InChIKey of 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine?
The InChIKey is LPIGVEKMIXCXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-28-26-13-11-21-19(26)24-17-7-3-15(4-8-17)23-16-5-9-18(10-6-16)25-20-22-12-14-27(20)29-2/h3-10,23H,11-14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine?
4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine has a molecular weight of 395.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxy-4,5-dihydroimidazol-2-yl)-1-N-[4-[(1-methoxy-4,5-dihydroimidazol-2-yl)amino]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 53325954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).