3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol

C31H36FN3O — CID 69326478

IUPAC3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol
SMILESCCCCN(Cc1cccc(O)c1)Cc1c(-c2ccc(F)cc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C31H36FN3O/c1-3-5-19-34(22-24-11-10-14-28(36)21-24)23-29-30(25-15-17-27(32)18-16-25)33-31(35(29)20-6-4-2)26-12-8-7-9-13-26/h7-18,21,36H,3-6,19-20,22-23H2,1-2H3
InChIKeyVLDRIGFYANFUHR-UHFFFAOYSA-N
MW485.65 g/mol
LogP7.66
Rot. Bonds12

About 3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol

3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol (PubChem CID 69326478) has the molecular formula C31H36FN3O and a molecular weight of 485.65 g/mol. Its IUPAC name is 3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol
PubChem CID69326478
Molecular FormulaC31H36FN3O
Molecular Weight485.65 g/mol
Exact Mass485.28
IUPAC Name3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol
SMILESCCCCN(Cc1cccc(O)c1)Cc1c(-c2ccc(F)cc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C31H36FN3O/c1-3-5-19-34(22-24-11-10-14-28(36)21-24)23-29-30(25-15-17-27(32)18-16-25)33-31(35(29)20-6-4-2)26-12-8-7-9-13-26/h7-18,21,36H,3-6,19-20,22-23H2,1-2H3
InChIKeyVLDRIGFYANFUHR-UHFFFAOYSA-N
XLogP7.66
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.65
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-chlorophenyl)methyl]butan-1-amine
CID 69325801
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine
CID 69327348
1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(4-fluorophenyl)-5-phenylimidazol-4-yl]methyl]methanamine
CID 18437420
N-[[3-butyl-5-(4-chlorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2-chloro-4-fluorophenyl)methyl]butan-1-amine
CID 69326085
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 69325850
5-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-nitrophenol
CID 69302769
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine
CID 18438342
N-[[4-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-hydroxyphenyl]methyl]methanesulfonamide
CID 69326451
N-[(4-butoxyphenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69325654
[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol
CID 69326594
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]butan-1-amine
CID 69325596
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]butan-1-amine
CID 69325538

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol?
The IUPAC name of 3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol (CID 69326478) is 3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol?
The canonical SMILES for 3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol is CCCCN(Cc1cccc(O)c1)Cc1c(-c2ccc(F)cc2)nc(-c2ccccc2)n1CCCC.
What is the InChIKey of 3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol?
The InChIKey is VLDRIGFYANFUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN3O/c1-3-5-19-34(22-24-11-10-14-28(36)21-24)23-29-30(25-15-17-27(32)18-16-25)33-31(35(29)20-6-4-2)26-12-8-7-9-13-26/h7-18,21,36H,3-6,19-20,22-23H2,1-2H3.
What are the key properties of 3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol?
3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol has a molecular weight of 485.65 g/mol, XLogP of 7.66, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol is sourced from PubChem (CID 69326478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).