1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine

C25H30N2 — CID 140718499

IUPAC1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine
SMILESC[C@@H](c1cccc2ccccc12)N1CCN(c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C25H30N2/c1-19(21-13-9-11-20-10-5-6-12-22(20)21)26-16-17-27(18-26)24-15-8-7-14-23(24)25(2,3)4/h5-15,19H,16-18H2,1-4H3/t19-/m0/s1
InChIKeyCZBFEDZAFBDDFV-IBGZPJMESA-N
MW358.53 g/mol
LogP5.98
Rot. Bonds3

About 1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine

1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine (PubChem CID 140718499) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine
PubChem CID140718499
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine
SMILESC[C@@H](c1cccc2ccccc12)N1CCN(c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C25H30N2/c1-19(21-13-9-11-20-10-5-6-12-22(20)21)26-16-17-27(18-26)24-15-8-7-14-23(24)25(2,3)4/h5-15,19H,16-18H2,1-4H3/t19-/m0/s1
InChIKeyCZBFEDZAFBDDFV-IBGZPJMESA-N
XLogP5.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine?
The IUPAC name of 1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine (CID 140718499) is 1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine is C[C@@H](c1cccc2ccccc12)N1CCN(c2ccccc2C(C)(C)C)C1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine?
The InChIKey is CZBFEDZAFBDDFV-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30N2/c1-19(21-13-9-11-20-10-5-6-12-22(20)21)26-16-17-27(18-26)24-15-8-7-14-23(24)25(2,3)4/h5-15,19H,16-18H2,1-4H3/t19-/m0/s1.
What are the key properties of 1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine?
1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine has a molecular weight of 358.53 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine is sourced from PubChem (CID 140718499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).