(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine

C13H20N2 — CID 162706210

IUPAC(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine
SMILES[2H]C1N(C)C(C)[C@H](C)N1c1ccccc1C
InChIInChI=1S/C13H20N2/c1-10-7-5-6-8-13(10)15-9-14(4)11(2)12(15)3/h5-8,11-12H,9H2,1-4H3/t11?,12-/m0/s1/i9D/t9?,11?,12-
InChIKeyMMYAKQPNLUMWDQ-OLOSXHJLSA-N
MW205.32 g/mol
LogP2.48
Rot. Bonds1

About (4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine

(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine (PubChem CID 162706210) has the molecular formula C13H20N2 and a molecular weight of 205.32 g/mol. Its IUPAC name is (4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine.

Molecular Properties

Compound Name(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine
PubChem CID162706210
Molecular FormulaC13H20N2
Molecular Weight205.32 g/mol
Exact Mass205.17
IUPAC Name(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine
SMILES[2H]C1N(C)C(C)[C@H](C)N1c1ccccc1C
InChIInChI=1S/C13H20N2/c1-10-7-5-6-8-13(10)15-9-14(4)11(2)12(15)3/h5-8,11-12H,9H2,1-4H3/t11?,12-/m0/s1/i9D/t9?,11?,12-
InChIKeyMMYAKQPNLUMWDQ-OLOSXHJLSA-N
XLogP2.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine?
The IUPAC name of (4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine (CID 162706210) is (4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine.
What is the SMILES notation for (4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine?
The canonical SMILES for (4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine is [2H]C1N(C)C(C)[C@H](C)N1c1ccccc1C.
What is the InChIKey of (4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine?
The InChIKey is MMYAKQPNLUMWDQ-OLOSXHJLSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-7-5-6-8-13(10)15-9-14(4)11(2)12(15)3/h5-8,11-12H,9H2,1-4H3/t11?,12-/m0/s1/i9D/t9?,11?,12-.
What are the key properties of (4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine?
(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine has a molecular weight of 205.32 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine is sourced from PubChem (CID 162706210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).