1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine

C23H31N3O — CID 11501485

IUPAC1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine
SMILESCC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C
InChIInChI=1S/C23H31N3O/c1-17(25(5)6)22(26-12-11-24-16-26)20-8-7-19-14-21(10-9-18(19)13-20)27-15-23(2,3)4/h7-14,16-17,22H,15H2,1-6H3
InChIKeyZZGVWUSRXVYCSC-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.00
Rot. Bonds6

About 1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine

1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine (PubChem CID 11501485) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine
PubChem CID11501485
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine
SMILESCC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C
InChIInChI=1S/C23H31N3O/c1-17(25(5)6)22(26-12-11-24-16-26)20-8-7-19-14-21(10-9-18(19)13-20)27-15-23(2,3)4/h7-14,16-17,22H,15H2,1-6H3
InChIKeyZZGVWUSRXVYCSC-UHFFFAOYSA-N
XLogP5.00
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine (CID 11501485) is 1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine is CC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C.
What is the InChIKey of 1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine?
The InChIKey is ZZGVWUSRXVYCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17(25(5)6)22(26-12-11-24-16-26)20-8-7-19-14-21(10-9-18(19)13-20)27-15-23(2,3)4/h7-14,16-17,22H,15H2,1-6H3.
What are the key properties of 1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine?
1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine has a molecular weight of 365.52 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2-dimethylpropoxy)naphthalen-2-yl]-1-imidazol-1-yl-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 11501485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).