1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine

C36H50N2 — CID 123440887

IUPAC1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine
SMILESCC(C)c1ccc2c(c1)=C(N1CCN(c3c(C(C)C)ccc4c3=CC(C(C)C)CC=4)C1)C(C)(C(C)C)CC=2
InChIInChI=1S/C36H50N2/c1-23(2)29-12-10-27-14-15-31(25(5)6)34(32(27)20-29)37-18-19-38(22-37)35-33-21-30(24(3)4)13-11-28(33)16-17-36(35,9)26(7)8/h10-11,13-16,20-21,23-26,29H,12,17-19,22H2,1-9H3
InChIKeyQJJCDOMZLUSLAS-UHFFFAOYSA-N
MW510.81 g/mol
LogP5.90
Rot. Bonds6

About 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine

1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine (PubChem CID 123440887) has the molecular formula C36H50N2 and a molecular weight of 510.81 g/mol. Its IUPAC name is 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine.

Molecular Properties

Compound Name1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine
PubChem CID123440887
Molecular FormulaC36H50N2
Molecular Weight510.81 g/mol
Exact Mass510.40
IUPAC Name1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine
SMILESCC(C)c1ccc2c(c1)=C(N1CCN(c3c(C(C)C)ccc4c3=CC(C(C)C)CC=4)C1)C(C)(C(C)C)CC=2
InChIInChI=1S/C36H50N2/c1-23(2)29-12-10-27-14-15-31(25(5)6)34(32(27)20-29)37-18-19-38(22-37)35-33-21-30(24(3)4)13-11-28(33)16-17-36(35,9)26(7)8/h10-11,13-16,20-21,23-26,29H,12,17-19,22H2,1-9H3
InChIKeyQJJCDOMZLUSLAS-UHFFFAOYSA-N
XLogP5.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.81
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine?
The IUPAC name of 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine (CID 123440887) is 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine.
What is the SMILES notation for 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine?
The canonical SMILES for 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine is CC(C)c1ccc2c(c1)=C(N1CCN(c3c(C(C)C)ccc4c3=CC(C(C)C)CC=4)C1)C(C)(C(C)C)CC=2.
What is the InChIKey of 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine?
The InChIKey is QJJCDOMZLUSLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50N2/c1-23(2)29-12-10-27-14-15-31(25(5)6)34(32(27)20-29)37-18-19-38(22-37)35-33-21-30(24(3)4)13-11-28(33)16-17-36(35,9)26(7)8/h10-11,13-16,20-21,23-26,29H,12,17-19,22H2,1-9H3.
What are the key properties of 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine?
1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine has a molecular weight of 510.81 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,7-di(propan-2-yl)-6,7-dihydronaphthalen-1-yl]-3-[2-methyl-2,7-di(propan-2-yl)-3H-naphthalen-1-yl]imidazolidine is sourced from PubChem (CID 123440887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).