4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine

C22H27N3O4 — CID 90681304

IUPAC4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(Cc2nc(N)n(C)c2Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-25-17(11-15-7-9-19(27-3)21(13-15)29-5)16(24-22(25)23)10-14-6-8-18(26-2)20(12-14)28-4/h6-9,12-13H,10-11H2,1-5H3,(H2,23,24)
InChIKeyJFNOFLXWVDJNHE-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.22
Rot. Bonds8

About 4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine

4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 90681304) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
PubChem CID90681304
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(Cc2nc(N)n(C)c2Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-25-17(11-15-7-9-19(27-3)21(13-15)29-5)16(24-22(25)23)10-14-6-8-18(26-2)20(12-14)28-4/h6-9,12-13H,10-11H2,1-5H3,(H2,23,24)
InChIKeyJFNOFLXWVDJNHE-UHFFFAOYSA-N
XLogP3.22
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-N-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanamide
CID 90681316
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methoxyaniline
CID 82475282
1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine
CID 79506309
2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine
CID 82290567
5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2H-1,3,4-oxadiazole
CID 15557955
5-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1,2,4-triazol-3-amine
CID 56962739
6-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 161274505
5-[(3,4-dimethoxyphenyl)methyl]-1-propyltriazole-4-carbaldehyde
CID 82205109
2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine
CID 62192255
2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 66964231
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine (CID 90681304) is 4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine is COc1ccc(Cc2nc(N)n(C)c2Cc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is JFNOFLXWVDJNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-25-17(11-15-7-9-19(27-3)21(13-15)29-5)16(24-22(25)23)10-14-6-8-18(26-2)20(12-14)28-4/h6-9,12-13H,10-11H2,1-5H3,(H2,23,24).
What are the key properties of 4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 397.48 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 90681304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).