2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine

C34H34N6O6 — CID 175784810

IUPAC2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine
SMILESCOc1cc(-n2cnc(N(c3ccc4ccc(N)cc4c3)c3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)c2)cc(OC)c1OC
InChIInChI=1S/C34H34N6O6/c1-41-27-13-25(14-28(42-2)33(27)45-5)38-17-31(36-19-38)40(24-10-8-21-7-9-23(35)11-22(21)12-24)32-18-39(20-37-32)26-15-29(43-3)34(46-6)30(16-26)44-4/h7-20H,35H2,1-6H3
InChIKeyLDMQEHULYBMGFT-UHFFFAOYSA-N
MW622.68 g/mol
LogP6.31
Rot. Bonds11

About 2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine

2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine (PubChem CID 175784810) has the molecular formula C34H34N6O6 and a molecular weight of 622.68 g/mol. Its IUPAC name is 2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine
PubChem CID175784810
Molecular FormulaC34H34N6O6
Molecular Weight622.68 g/mol
Exact Mass622.25
IUPAC Name2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine
SMILESCOc1cc(-n2cnc(N(c3ccc4ccc(N)cc4c3)c3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)c2)cc(OC)c1OC
InChIInChI=1S/C34H34N6O6/c1-41-27-13-25(14-28(42-2)33(27)45-5)38-17-31(36-19-38)40(24-10-8-21-7-9-23(35)11-22(21)12-24)32-18-39(20-37-32)26-15-29(43-3)34(46-6)30(16-26)44-4/h7-20H,35H2,1-6H3
InChIKeyLDMQEHULYBMGFT-UHFFFAOYSA-N
XLogP6.31
TPSA120.28 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500622.68
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
CID 147782659
1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine
CID 163422541
2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 172791028
2-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 170775798
3-chloroisoquinoline;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]isoquinolin-3-amine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167607094
N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine
CID 163513532
4-(4-chloroimidazol-1-yl)-3-methoxyaniline
CID 58075757
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine
CID 84617710
1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775795
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
CID 142497948
4-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]-4-N-(4-amino-3-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 89352450

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine?
The IUPAC name of 2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine (CID 175784810) is 2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine.
What is the SMILES notation for 2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine?
The canonical SMILES for 2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine is COc1cc(-n2cnc(N(c3ccc4ccc(N)cc4c3)c3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)c2)cc(OC)c1OC.
What is the InChIKey of 2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine?
The InChIKey is LDMQEHULYBMGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N6O6/c1-41-27-13-25(14-28(42-2)33(27)45-5)38-17-31(36-19-38)40(24-10-8-21-7-9-23(35)11-22(21)12-24)32-18-39(20-37-32)26-15-29(43-3)34(46-6)30(16-26)44-4/h7-20H,35H2,1-6H3.
What are the key properties of 2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine?
2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine has a molecular weight of 622.68 g/mol, XLogP of 6.31, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine is sourced from PubChem (CID 175784810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).