1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine

C29H35N3O2 — CID 11590652

IUPAC1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine
SMILESCC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C
InChIInChI=1S/C29H35N3O2/c1-21(31(5)6)28(32-16-15-30-20-32)25-10-9-24-18-27(14-11-23(24)17-25)33-19-22-7-12-26(13-8-22)34-29(2,3)4/h7-18,20-21,28H,19H2,1-6H3
InChIKeyZYAKTISGGAZUDF-UHFFFAOYSA-N
MW457.62 g/mol
LogP6.33
Rot. Bonds8

About 1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine

1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine (PubChem CID 11590652) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine
PubChem CID11590652
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC Name1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine
SMILESCC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C
InChIInChI=1S/C29H35N3O2/c1-21(31(5)6)28(32-16-15-30-20-32)25-10-9-24-18-27(14-11-23(24)17-25)33-19-22-7-12-26(13-8-22)34-29(2,3)4/h7-18,20-21,28H,19H2,1-6H3
InChIKeyZYAKTISGGAZUDF-UHFFFAOYSA-N
XLogP6.33
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine (CID 11590652) is 1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine is CC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C.
What is the InChIKey of 1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine?
The InChIKey is ZYAKTISGGAZUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-21(31(5)6)28(32-16-15-30-20-32)25-10-9-24-18-27(14-11-23(24)17-25)33-19-22-7-12-26(13-8-22)34-29(2,3)4/h7-18,20-21,28H,19H2,1-6H3.
What are the key properties of 1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine?
1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine has a molecular weight of 457.62 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N,N-dimethyl-1-[6-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]naphthalen-2-yl]propan-2-amine is sourced from PubChem (CID 11590652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).