1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride

C23H33ClN2 — CID 173045672

IUPAC1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride
SMILESCC(C)(C)c1ccccc1N1CCN(c2ccccc2C(C)(C)C)C1.Cl
InChIInChI=1S/C23H32N2.ClH/c1-22(2,3)18-11-7-9-13-20(18)24-15-16-25(17-24)21-14-10-8-12-19(21)23(4,5)6;/h7-14H,15-17H2,1-6H3;1H
InChIKeyQQQYTIGSBYLEAL-UHFFFAOYSA-N
MW372.98 g/mol
LogP5.99
Rot. Bonds2

About 1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride

1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride (PubChem CID 173045672) has the molecular formula C23H33ClN2 and a molecular weight of 372.98 g/mol. Its IUPAC name is 1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride.

Molecular Properties

Compound Name1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride
PubChem CID173045672
Molecular FormulaC23H33ClN2
Molecular Weight372.98 g/mol
Exact Mass372.23
IUPAC Name1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride
SMILESCC(C)(C)c1ccccc1N1CCN(c2ccccc2C(C)(C)C)C1.Cl
InChIInChI=1S/C23H32N2.ClH/c1-22(2,3)18-11-7-9-13-20(18)24-15-16-25(17-24)21-14-10-8-12-19(21)23(4,5)6;/h7-14H,15-17H2,1-6H3;1H
InChIKeyQQQYTIGSBYLEAL-UHFFFAOYSA-N
XLogP5.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.98
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 59865822
1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
CID 122436156
(3R)-1-(2-tert-butylphenyl)-3-fluoropyrrolidine
CID 134316893
methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
1-(2-tert-butylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]imidazolidine
CID 140718499
1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine
CID 167663037
1-(2-tert-butylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113076530
CID 175472927
CID 175472927
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 91049311
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride?
The IUPAC name of 1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride (CID 173045672) is 1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride.
What is the SMILES notation for 1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride?
The canonical SMILES for 1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride is CC(C)(C)c1ccccc1N1CCN(c2ccccc2C(C)(C)C)C1.Cl.
What is the InChIKey of 1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride?
The InChIKey is QQQYTIGSBYLEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.ClH/c1-22(2,3)18-11-7-9-13-20(18)24-15-16-25(17-24)21-14-10-8-12-19(21)23(4,5)6;/h7-14H,15-17H2,1-6H3;1H.
What are the key properties of 1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride?
1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride has a molecular weight of 372.98 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride is sourced from PubChem (CID 173045672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).