1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol

C32H30N2O — CID 5242867

IUPAC1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol
SMILESCc1cc(C)c(N2CCN(c3ccc4ccccc4c3-c3c(O)ccc4ccccc34)C2)c(C)c1
InChIInChI=1S/C32H30N2O/c1-21-18-22(2)32(23(3)19-21)34-17-16-33(20-34)28-14-12-24-8-4-6-10-26(24)30(28)31-27-11-7-5-9-25(27)13-15-29(31)35/h4-15,18-19,35H,16-17,20H2,1-3H3
InChIKeyQWNPNZFGHPIMBO-UHFFFAOYSA-N
MW458.61 g/mol
LogP7.57
Rot. Bonds3

About 1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol

1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol (PubChem CID 5242867) has the molecular formula C32H30N2O and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol
PubChem CID5242867
Molecular FormulaC32H30N2O
Molecular Weight458.61 g/mol
Exact Mass458.24
IUPAC Name1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol
SMILESCc1cc(C)c(N2CCN(c3ccc4ccccc4c3-c3c(O)ccc4ccccc34)C2)c(C)c1
InChIInChI=1S/C32H30N2O/c1-21-18-22(2)32(23(3)19-21)34-17-16-33(20-34)28-14-12-24-8-4-6-10-26(24)30(28)31-27-11-7-5-9-25(27)13-15-29(31)35/h4-15,18-19,35H,16-17,20H2,1-3H3
InChIKeyQWNPNZFGHPIMBO-UHFFFAOYSA-N
XLogP7.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol (CID 5242867) is 1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol is Cc1cc(C)c(N2CCN(c3ccc4ccccc4c3-c3c(O)ccc4ccccc34)C2)c(C)c1.
What is the InChIKey of 1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol?
The InChIKey is QWNPNZFGHPIMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O/c1-21-18-22(2)32(23(3)19-21)34-17-16-33(20-34)28-14-12-24-8-4-6-10-26(24)30(28)31-27-11-7-5-9-25(27)13-15-29(31)35/h4-15,18-19,35H,16-17,20H2,1-3H3.
What are the key properties of 1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol?
1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol has a molecular weight of 458.61 g/mol, XLogP of 7.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,4,6-trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 5242867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).