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

C17H26N2 — CID 162706573

IUPAC(4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine
SMILES[2H]C1N(C2CCCC2)C(C)[C@H](C)N1c1ccccc1C
InChIInChI=1S/C17H26N2/c1-13-8-4-7-11-17(13)19-12-18(14(2)15(19)3)16-9-5-6-10-16/h4,7-8,11,14-16H,5-6,9-10,12H2,1-3H3/t14?,15-/m0/s1/i12D/t12?,14?,15-
InChIKeyGCWFQRZJUKRGGC-MWZNUOAKSA-N
MW259.42 g/mol
LogP3.79
Rot. Bonds2

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

(4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine (PubChem CID 162706573) has the molecular formula C17H26N2 and a molecular weight of 259.42 g/mol. Its IUPAC name is (4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine.

Molecular Properties

Compound Name(4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine
PubChem CID162706573
Molecular FormulaC17H26N2
Molecular Weight259.42 g/mol
Exact Mass259.22
IUPAC Name(4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine
SMILES[2H]C1N(C2CCCC2)C(C)[C@H](C)N1c1ccccc1C
InChIInChI=1S/C17H26N2/c1-13-8-4-7-11-17(13)19-12-18(14(2)15(19)3)16-9-5-6-10-16/h4,7-8,11,14-16H,5-6,9-10,12H2,1-3H3/t14?,15-/m0/s1/i12D/t12?,14?,15-
InChIKeyGCWFQRZJUKRGGC-MWZNUOAKSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine?
The IUPAC name of (4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine (CID 162706573) is (4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine.
What is the SMILES notation for (4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine?
The canonical SMILES for (4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine is [2H]C1N(C2CCCC2)C(C)[C@H](C)N1c1ccccc1C.
What is the InChIKey of (4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine?
The InChIKey is GCWFQRZJUKRGGC-MWZNUOAKSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-8-4-7-11-17(13)19-12-18(14(2)15(19)3)16-9-5-6-10-16/h4,7-8,11,14-16H,5-6,9-10,12H2,1-3H3/t14?,15-/m0/s1/i12D/t12?,14?,15-.
What are the key properties of (4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine?
(4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine has a molecular weight of 259.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine is sourced from PubChem (CID 162706573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).