1-(1,2-diphenylhexan-3-yl)imidazole

C21H24N2 — CID 69389171

IUPAC1-(1,2-diphenylhexan-3-yl)imidazole
SMILESCCCC(C(Cc1ccccc1)c1ccccc1)n1ccnc1
InChIInChI=1S/C21H24N2/c1-2-9-21(23-15-14-22-17-23)20(19-12-7-4-8-13-19)16-18-10-5-3-6-11-18/h3-8,10-15,17,20-21H,2,9,16H2,1H3
InChIKeyBMFDQAUXFVFRJI-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.25
Rot. Bonds7

About 1-(1,2-diphenylhexan-3-yl)imidazole

1-(1,2-diphenylhexan-3-yl)imidazole (PubChem CID 69389171) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-(1,2-diphenylhexan-3-yl)imidazole.

Molecular Properties

Compound Name1-(1,2-diphenylhexan-3-yl)imidazole
PubChem CID69389171
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name1-(1,2-diphenylhexan-3-yl)imidazole
SMILESCCCC(C(Cc1ccccc1)c1ccccc1)n1ccnc1
InChIInChI=1S/C21H24N2/c1-2-9-21(23-15-14-22-17-23)20(19-12-7-4-8-13-19)16-18-10-5-3-6-11-18/h3-8,10-15,17,20-21H,2,9,16H2,1H3
InChIKeyBMFDQAUXFVFRJI-UHFFFAOYSA-N
XLogP5.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-1-phenylheptan-3-yl)imidazole
CID 69395531
1-(9-benzylhenicosan-8-yl)imidazole
CID 69391402
1-(10-benzyltricosan-9-yl)imidazole
CID 69392318
1-(7-benzylnonadecan-8-yl)imidazole
CID 69398246
1-(7-benzyltetracosan-8-yl)imidazole
CID 69388647
1-(11-benzyloctacosan-12-yl)imidazole
CID 69394236
1-(15-benzyltriacontan-14-yl)imidazole
CID 69389841
1-(14-benzyloctacosan-13-yl)imidazole
CID 69387304
1-(9-benzyltricosan-10-yl)imidazole
CID 69393233
1-(9-benzylheptadecan-8-yl)imidazole
CID 69390186
1-(10-benzylhexacosan-9-yl)imidazole
CID 69393202
1-(21-benzyltetracontan-20-yl)imidazole
CID 69390987

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylhexan-3-yl)imidazole?
The IUPAC name of 1-(1,2-diphenylhexan-3-yl)imidazole (CID 69389171) is 1-(1,2-diphenylhexan-3-yl)imidazole.
What is the SMILES notation for 1-(1,2-diphenylhexan-3-yl)imidazole?
The canonical SMILES for 1-(1,2-diphenylhexan-3-yl)imidazole is CCCC(C(Cc1ccccc1)c1ccccc1)n1ccnc1.
What is the InChIKey of 1-(1,2-diphenylhexan-3-yl)imidazole?
The InChIKey is BMFDQAUXFVFRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-2-9-21(23-15-14-22-17-23)20(19-12-7-4-8-13-19)16-18-10-5-3-6-11-18/h3-8,10-15,17,20-21H,2,9,16H2,1H3.
What are the key properties of 1-(1,2-diphenylhexan-3-yl)imidazole?
1-(1,2-diphenylhexan-3-yl)imidazole has a molecular weight of 304.44 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylhexan-3-yl)imidazole is sourced from PubChem (CID 69389171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).