N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline

C19H23N3O2 — CID 11515358

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CN(CC2=NCCN2)c2ccccc2)cc1OC
InChIInChI=1S/C19H23N3O2/c1-23-17-9-8-15(12-18(17)24-2)13-22(14-19-20-10-11-21-19)16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyIHGMJAGQZCQPLI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.71
Rot. Bonds7

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline (PubChem CID 11515358) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline
PubChem CID11515358
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CN(CC2=NCCN2)c2ccccc2)cc1OC
InChIInChI=1S/C19H23N3O2/c1-23-17-9-8-15(12-18(17)24-2)13-22(14-19-20-10-11-21-19)16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyIHGMJAGQZCQPLI-UHFFFAOYSA-N
XLogP2.71
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(N-benzylanilino)methyl]-2-methoxyphenol
CID 174576798
N-[(3,4-dimethoxyphenyl)methyl]-N-phenylcarbamoyl chloride
CID 24836611
1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 21152033
2-benzyl-4,5-dihydro-1H-imidazole;hydrate
CID 174926458
4-[(N-ethylanilino)methyl]-2-methoxybenzenecarbothioamide
CID 106788702
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
3-[N-[(3-amino-4-methoxyphenyl)methyl]anilino]propanenitrile
CID 29042087
2,6-dichloro-4-N,4-N,8-N,8-N-tetrakis[(3,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11457132
2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 71404403
N-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
CID 127037375
ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
CID 145111115

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline (CID 11515358) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline is COc1ccc(CN(CC2=NCCN2)c2ccccc2)cc1OC.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline?
The InChIKey is IHGMJAGQZCQPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-23-17-9-8-15(12-18(17)24-2)13-22(14-19-20-10-11-21-19)16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline has a molecular weight of 325.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 11515358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).