1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride

C26H27ClN2 — CID 175342500

IUPAC1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride
SMILESCc1cc(C(C)c2ccccc2)c(-n2ccnc2)c([C@@H](C)c2ccccc2)c1.Cl
InChIInChI=1S/C26H26N2.ClH/c1-19-16-24(20(2)22-10-6-4-7-11-22)26(28-15-14-27-18-28)25(17-19)21(3)23-12-8-5-9-13-23;/h4-18,20-21H,1-3H3;1H/t20-,21?;/m0./s1
InChIKeyKOYZNBKUSWWDJK-FQQMSVSDSA-N
MW402.97 g/mol
LogP6.91
Rot. Bonds5

About 1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride

1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride (PubChem CID 175342500) has the molecular formula C26H27ClN2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride
PubChem CID175342500
Molecular FormulaC26H27ClN2
Molecular Weight402.97 g/mol
Exact Mass402.19
IUPAC Name1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride
SMILESCc1cc(C(C)c2ccccc2)c(-n2ccnc2)c([C@@H](C)c2ccccc2)c1.Cl
InChIInChI=1S/C26H26N2.ClH/c1-19-16-24(20(2)22-10-6-4-7-11-22)26(28-15-14-27-18-28)25(17-19)21(3)23-12-8-5-9-13-23;/h4-18,20-21H,1-3H3;1H/t20-,21?;/m0./s1
InChIKeyKOYZNBKUSWWDJK-FQQMSVSDSA-N
XLogP6.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.97
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]imidazol-1-ium chloride
CID 54577259
4,5-dimethyl-1,3-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-2H-imidazole
CID 178184490
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole
CID 174565970
CID 166445948
CID 166445948
N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine
CID 11331952
1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
CID 14594096
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
4,5-dimethyl-1,3-bis[4-methyl-2,6-bis[(1R)-1-phenylethyl]phenyl]imidazol-1-ium bromide
CID 155316521
4-methyl-2-(1-phenylethyl)benzenethiol
CID 24822888
1-benzhydrylimidazole;hydrobromide
CID 174865219
2-imidazol-1-yl-3-methylphenol
CID 70472406

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride?
The IUPAC name of 1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride (CID 175342500) is 1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride?
The canonical SMILES for 1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride is Cc1cc(C(C)c2ccccc2)c(-n2ccnc2)c([C@@H](C)c2ccccc2)c1.Cl.
What is the InChIKey of 1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride?
The InChIKey is KOYZNBKUSWWDJK-FQQMSVSDSA-N. The full InChI is InChI=1S/C26H26N2.ClH/c1-19-16-24(20(2)22-10-6-4-7-11-22)26(28-15-14-27-18-28)25(17-19)21(3)23-12-8-5-9-13-23;/h4-18,20-21H,1-3H3;1H/t20-,21?;/m0./s1.
What are the key properties of 1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride?
1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride is sourced from PubChem (CID 175342500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).