5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride

C20H23ClN2 — CID 14535975

IUPAC5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride
SMILESCc1ccccc1C(CCc1cnc[nH]1)c1ccccc1C.Cl
InChIInChI=1S/C20H22N2.ClH/c1-15-7-3-5-9-18(15)20(12-11-17-13-21-14-22-17)19-10-6-4-8-16(19)2;/h3-10,13-14,20H,11-12H2,1-2H3,(H,21,22);1H
InChIKeyQHVYWQOUUSRUDR-UHFFFAOYSA-N
MW326.87 g/mol
LogP5.21
Rot. Bonds5

About 5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride

5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride (PubChem CID 14535975) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride
PubChem CID14535975
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride
SMILESCc1ccccc1C(CCc1cnc[nH]1)c1ccccc1C.Cl
InChIInChI=1S/C20H22N2.ClH/c1-15-7-3-5-9-18(15)20(12-11-17-13-21-14-22-17)19-10-6-4-8-16(19)2;/h3-10,13-14,20H,11-12H2,1-2H3,(H,21,22);1H
InChIKeyQHVYWQOUUSRUDR-UHFFFAOYSA-N
XLogP5.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.87
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10420802
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CID 10035345
5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole
CID 10780854
5-(3-thiophen-2-ylbutyl)-1H-imidazole
CID 57202794
3-(1H-imidazol-5-yl)-1-sulfanylpropan-1-ol
CID 163552969
5-[6-[6-(1H-imidazol-5-yl)-2-phenylhexyl]sulfonyl-5-phenylhexyl]-1H-imidazole
CID 152769384
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
N-(1H-imidazol-5-ylmethyl)-N-phenylaniline
CID 59728125
2-(1H-imidazol-5-yl)ethanamine;phenol
CID 67627701
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
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CID 11741669

Frequently Asked Questions

What is the IUPAC name of 5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride (CID 14535975) is 5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride is Cc1ccccc1C(CCc1cnc[nH]1)c1ccccc1C.Cl.
What is the InChIKey of 5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride?
The InChIKey is QHVYWQOUUSRUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2.ClH/c1-15-7-3-5-9-18(15)20(12-11-17-13-21-14-22-17)19-10-6-4-8-16(19)2;/h3-10,13-14,20H,11-12H2,1-2H3,(H,21,22);1H.
What are the key properties of 5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride?
5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 14535975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).