1-(2-benzyl-1-phenylheptan-3-yl)imidazole

C23H28N2 — CID 69395531

IUPAC1-(2-benzyl-1-phenylheptan-3-yl)imidazole
SMILESCCCCC(C(Cc1ccccc1)Cc1ccccc1)n1ccnc1
InChIInChI=1S/C23H28N2/c1-2-3-14-23(25-16-15-24-19-25)22(17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h4-13,15-16,19,22-23H,2-3,14,17-18H2,1H3
InChIKeyXKPUZRHCUCDVAS-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.72
Rot. Bonds9

About 1-(2-benzyl-1-phenylheptan-3-yl)imidazole

1-(2-benzyl-1-phenylheptan-3-yl)imidazole (PubChem CID 69395531) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(2-benzyl-1-phenylheptan-3-yl)imidazole.

Molecular Properties

Compound Name1-(2-benzyl-1-phenylheptan-3-yl)imidazole
PubChem CID69395531
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-(2-benzyl-1-phenylheptan-3-yl)imidazole
SMILESCCCCC(C(Cc1ccccc1)Cc1ccccc1)n1ccnc1
InChIInChI=1S/C23H28N2/c1-2-3-14-23(25-16-15-24-19-25)22(17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h4-13,15-16,19,22-23H,2-3,14,17-18H2,1H3
InChIKeyXKPUZRHCUCDVAS-UHFFFAOYSA-N
XLogP5.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-benzylpentacosan-5-yl)imidazole
CID 69391843
1-(6-benzyldocosan-5-yl)imidazole
CID 69388867
1-(6-benzyltricosan-5-yl)imidazole
CID 69390815
1-(15-benzyltriacontan-14-yl)imidazole
CID 69389841
1-(9-benzylhenicosan-8-yl)imidazole
CID 69391402
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-(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-benzyltricosan-9-yl)imidazole
CID 69392318

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-1-phenylheptan-3-yl)imidazole?
The IUPAC name of 1-(2-benzyl-1-phenylheptan-3-yl)imidazole (CID 69395531) is 1-(2-benzyl-1-phenylheptan-3-yl)imidazole.
What is the SMILES notation for 1-(2-benzyl-1-phenylheptan-3-yl)imidazole?
The canonical SMILES for 1-(2-benzyl-1-phenylheptan-3-yl)imidazole is CCCCC(C(Cc1ccccc1)Cc1ccccc1)n1ccnc1.
What is the InChIKey of 1-(2-benzyl-1-phenylheptan-3-yl)imidazole?
The InChIKey is XKPUZRHCUCDVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-2-3-14-23(25-16-15-24-19-25)22(17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h4-13,15-16,19,22-23H,2-3,14,17-18H2,1H3.
What are the key properties of 1-(2-benzyl-1-phenylheptan-3-yl)imidazole?
1-(2-benzyl-1-phenylheptan-3-yl)imidazole has a molecular weight of 332.49 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-1-phenylheptan-3-yl)imidazole is sourced from PubChem (CID 69395531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).