2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol

C20H23N3O3 — CID 3635678

IUPAC2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol
SMILESCOc1cc(CNc2ncc(-c3ccc(C)cc3)n2C)cc(OC)c1O
InChIInChI=1S/C20H23N3O3/c1-13-5-7-15(8-6-13)16-12-22-20(23(16)2)21-11-14-9-17(25-3)19(24)18(10-14)26-4/h5-10,12,24H,11H2,1-4H3,(H,21,22)
InChIKeyYUUZLVZLGNAHJI-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.73
Rot. Bonds6

About 2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol

2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol (PubChem CID 3635678) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol
PubChem CID3635678
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol
SMILESCOc1cc(CNc2ncc(-c3ccc(C)cc3)n2C)cc(OC)c1O
InChIInChI=1S/C20H23N3O3/c1-13-5-7-15(8-6-13)16-12-22-20(23(16)2)21-11-14-9-17(25-3)19(24)18(10-14)26-4/h5-10,12,24H,11H2,1-4H3,(H,21,22)
InChIKeyYUUZLVZLGNAHJI-UHFFFAOYSA-N
XLogP3.73
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-6-methoxyphenol
CID 4212879
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3657177
1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
CID 4268293
4-[[[5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-yl]amino]methyl]-2-bromo-6-methoxyphenol
CID 3391166
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327719
N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643108
4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol
CID 3566909
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol
CID 45147032
5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 3893027
4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile
CID 51362157

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol (CID 3635678) is 2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol is COc1cc(CNc2ncc(-c3ccc(C)cc3)n2C)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol?
The InChIKey is YUUZLVZLGNAHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-5-7-15(8-6-13)16-12-22-20(23(16)2)21-11-14-9-17(25-3)19(24)18(10-14)26-4/h5-10,12,24H,11H2,1-4H3,(H,21,22).
What are the key properties of 2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol?
2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol has a molecular weight of 353.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol is sourced from PubChem (CID 3635678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).