N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline

C19H21N3O2 — CID 20956347

IUPACN-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(OC)c(Cn3ccnc3)c2)cc1
InChIInChI=1S/C19H21N3O2/c1-23-18-6-4-17(5-7-18)21-12-15-3-8-19(24-2)16(11-15)13-22-10-9-20-14-22/h3-11,14,21H,12-13H2,1-2H3
InChIKeyRMWHSEVGEYPZDL-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.56
Rot. Bonds7

About N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline

N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline (PubChem CID 20956347) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
PubChem CID20956347
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(OC)c(Cn3ccnc3)c2)cc1
InChIInChI=1S/C19H21N3O2/c1-23-18-6-4-17(5-7-18)21-12-15-3-8-19(24-2)16(11-15)13-22-10-9-20-14-22/h3-11,14,21H,12-13H2,1-2H3
InChIKeyRMWHSEVGEYPZDL-UHFFFAOYSA-N
XLogP3.56
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
1-(3-bromophenyl)-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]methanamine
CID 20956367
1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]ethanone
CID 43233068
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504
3-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881611
5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 51114924
3-imidazol-1-yl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]propan-1-amine
CID 17216138
1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
CID 69219836
4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 66525608
N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 107456470
N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline
CID 167788715
N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 61494612

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline?
The IUPAC name of N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline (CID 20956347) is N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline.
What is the SMILES notation for N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline?
The canonical SMILES for N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline is COc1ccc(NCc2ccc(OC)c(Cn3ccnc3)c2)cc1.
What is the InChIKey of N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline?
The InChIKey is RMWHSEVGEYPZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-18-6-4-17(5-7-18)21-12-15-3-8-19(24-2)16(11-15)13-22-10-9-20-14-22/h3-11,14,21H,12-13H2,1-2H3.
What are the key properties of N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline?
N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline has a molecular weight of 323.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline is sourced from PubChem (CID 20956347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).