3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol

C29H41N3O — CID 69326413

IUPAC3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol
SMILESCCCCC(c1cnc(-c2ccccc2)n1CCCC)N(CCCC)Cc1cccc(O)c1
InChIInChI=1S/C29H41N3O/c1-4-7-18-27(31(19-8-5-2)23-24-14-13-17-26(33)21-24)28-22-30-29(32(28)20-9-6-3)25-15-11-10-12-16-25/h10-17,21-22,27,33H,4-9,18-20,23H2,1-3H3
InChIKeyFQWRUXYXAOCOKT-UHFFFAOYSA-N
MW447.67 g/mol
LogP7.59
Rot. Bonds14

About 3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol

3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol (PubChem CID 69326413) has the molecular formula C29H41N3O and a molecular weight of 447.67 g/mol. Its IUPAC name is 3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol
PubChem CID69326413
Molecular FormulaC29H41N3O
Molecular Weight447.67 g/mol
Exact Mass447.32
IUPAC Name3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol
SMILESCCCCC(c1cnc(-c2ccccc2)n1CCCC)N(CCCC)Cc1cccc(O)c1
InChIInChI=1S/C29H41N3O/c1-4-7-18-27(31(19-8-5-2)23-24-14-13-17-26(33)21-24)28-22-30-29(32(28)20-9-6-3)25-15-11-10-12-16-25/h10-17,21-22,27,33H,4-9,18-20,23H2,1-3H3
InChIKeyFQWRUXYXAOCOKT-UHFFFAOYSA-N
XLogP7.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.67
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(3-butyl-2-phenylimidazol-4-yl)pentyl-(cyclohexylmethyl)amino]methyl]benzoic acid
CID 69325860
3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol
CID 69326478
N-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-1-[3-butyl-2-(4-fluorophenyl)imidazol-4-yl]ethanamine
CID 10163162
N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
CID 69301657
5-[[butyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-2-hydroxybenzoic acid
CID 69325498
N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
CID 20721205
4-[1-[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]ethyl]benzene-1,3-diol
CID 69326576
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine
CID 69325911
4-[[1,3-benzodioxol-5-ylmethyl-[(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)pentyl]amino]methyl]-2,6-dimethylphenol
CID 58817955
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-chlorophenyl)methyl]butan-1-amine
CID 69325801
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
CID 69325628
4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol
CID 69326229

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol?
The IUPAC name of 3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol (CID 69326413) is 3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol?
The canonical SMILES for 3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol is CCCCC(c1cnc(-c2ccccc2)n1CCCC)N(CCCC)Cc1cccc(O)c1.
What is the InChIKey of 3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol?
The InChIKey is FQWRUXYXAOCOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O/c1-4-7-18-27(31(19-8-5-2)23-24-14-13-17-26(33)21-24)28-22-30-29(32(28)20-9-6-3)25-15-11-10-12-16-25/h10-17,21-22,27,33H,4-9,18-20,23H2,1-3H3.
What are the key properties of 3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol?
3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol has a molecular weight of 447.67 g/mol, XLogP of 7.59, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl-[1-(3-butyl-2-phenylimidazol-4-yl)pentyl]amino]methyl]phenol is sourced from PubChem (CID 69326413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).