(5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine

C30H36N2O — CID 162706168

IUPAC(5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine
SMILESCc1cc2oc3ccccc3c2cc1N1C(C(C)(C)C)N(c2ccccc2)C(C(C)C)[C@@H]1C
InChIInChI=1S/C30H36N2O/c1-19(2)28-21(4)31(29(30(5,6)7)32(28)22-13-9-8-10-14-22)25-18-24-23-15-11-12-16-26(23)33-27(24)17-20(25)3/h8-19,21,28-29H,1-7H3/t21-,28?,29?/m0/s1
InChIKeyHJBWXHNLZKAIRS-MGKOBSPESA-N
MW440.63 g/mol
LogP8.01
Rot. Bonds3

About (5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine

(5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine (PubChem CID 162706168) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is (5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine.

Molecular Properties

Compound Name(5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine
PubChem CID162706168
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC Name(5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine
SMILESCc1cc2oc3ccccc3c2cc1N1C(C(C)(C)C)N(c2ccccc2)C(C(C)C)[C@@H]1C
InChIInChI=1S/C30H36N2O/c1-19(2)28-21(4)31(29(30(5,6)7)32(28)22-13-9-8-10-14-22)25-18-24-23-15-11-12-16-26(23)33-27(24)17-20(25)3/h8-19,21,28-29H,1-7H3/t21-,28?,29?/m0/s1
InChIKeyHJBWXHNLZKAIRS-MGKOBSPESA-N
XLogP8.01
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine?
The IUPAC name of (5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine (CID 162706168) is (5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine.
What is the SMILES notation for (5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine?
The canonical SMILES for (5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine is Cc1cc2oc3ccccc3c2cc1N1C(C(C)(C)C)N(c2ccccc2)C(C(C)C)[C@@H]1C.
What is the InChIKey of (5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine?
The InChIKey is HJBWXHNLZKAIRS-MGKOBSPESA-N. The full InChI is InChI=1S/C30H36N2O/c1-19(2)28-21(4)31(29(30(5,6)7)32(28)22-13-9-8-10-14-22)25-18-24-23-15-11-12-16-26(23)33-27(24)17-20(25)3/h8-19,21,28-29H,1-7H3/t21-,28?,29?/m0/s1.
What are the key properties of (5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine?
(5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine has a molecular weight of 440.63 g/mol, XLogP of 8.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine is sourced from PubChem (CID 162706168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).