N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine

C26H27N3O2 — CID 3657177

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
SMILESCOc1cc(CNc2ncc(-c3ccc(C)cc3)n2C)ccc1OCc1ccccc1
InChIInChI=1S/C26H27N3O2/c1-19-9-12-22(13-10-19)23-17-28-26(29(23)2)27-16-21-11-14-24(25(15-21)30-3)31-18-20-7-5-4-6-8-20/h4-15,17H,16,18H2,1-3H3,(H,27,28)
InChIKeyXBHKRZAEJCAGOM-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.60
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine (PubChem CID 3657177) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
PubChem CID3657177
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
SMILESCOc1cc(CNc2ncc(-c3ccc(C)cc3)n2C)ccc1OCc1ccccc1
InChIInChI=1S/C26H27N3O2/c1-19-9-12-22(13-10-19)23-17-28-26(29(23)2)27-16-21-11-14-24(25(15-21)30-3)31-18-20-7-5-4-6-8-20/h4-15,17H,16,18H2,1-3H3,(H,27,28)
InChIKeyXBHKRZAEJCAGOM-UHFFFAOYSA-N
XLogP5.60
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327719
2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol
CID 3635678
1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
CID 4268293
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 4719341
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126119873
N-[(3-bromophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine;oxalic acid
CID 163327530
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969223
4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol
CID 3566909
5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 3893027
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline
CID 50888447
2-bromo-4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-6-methoxyphenol
CID 4212879
5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 126460429

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine (CID 3657177) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine is COc1cc(CNc2ncc(-c3ccc(C)cc3)n2C)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The InChIKey is XBHKRZAEJCAGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-9-12-22(13-10-19)23-17-28-26(29(23)2)27-16-21-11-14-24(25(15-21)30-3)31-18-20-7-5-4-6-8-20/h4-15,17H,16,18H2,1-3H3,(H,27,28).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine has a molecular weight of 413.52 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine is sourced from PubChem (CID 3657177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).