1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine

C26H27N3O3 — CID 4268293

IUPAC1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
SMILESCOc1cc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc(OC)c1OC
InChIInChI=1S/C26H27N3O3/c1-29-22(21-12-10-20(11-13-21)19-8-6-5-7-9-19)17-28-26(29)27-16-18-14-23(30-2)25(32-4)24(15-18)31-3/h5-15,17H,16H2,1-4H3,(H,27,28)
InChIKeyJDZJAXUVISEERY-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.39
Rot. Bonds8

About 1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine

1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine (PubChem CID 4268293) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
PubChem CID4268293
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
SMILESCOc1cc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc(OC)c1OC
InChIInChI=1S/C26H27N3O3/c1-29-22(21-12-10-20(11-13-21)19-8-6-5-7-9-19)17-28-26(29)27-16-18-14-23(30-2)25(32-4)24(15-18)31-3/h5-15,17H,16H2,1-4H3,(H,27,28)
InChIKeyJDZJAXUVISEERY-UHFFFAOYSA-N
XLogP5.39
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3657177
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine
CID 3689162
1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
CID 3928516
N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643108
2-bromo-4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-6-methoxyphenol
CID 4212879
2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol
CID 3533703
N-[(4-fluorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
CID 1096454
1-methyl-5-phenyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 51361863
4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol
CID 3566909
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine
CID 4654948

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine (CID 4268293) is 1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine is COc1cc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine?
The InChIKey is JDZJAXUVISEERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-29-22(21-12-10-20(11-13-21)19-8-6-5-7-9-19)17-28-26(29)27-16-18-14-23(30-2)25(32-4)24(15-18)31-3/h5-15,17H,16H2,1-4H3,(H,27,28).
What are the key properties of 1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine?
1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine has a molecular weight of 429.52 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 4268293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).