N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline

C20H23N3O — CID 167788715

IUPACN-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline
SMILESCCc1cc(OC)ccc1CNc1ccccc1Cn1ccnc1
InChIInChI=1S/C20H23N3O/c1-3-16-12-19(24-2)9-8-17(16)13-22-20-7-5-4-6-18(20)14-23-11-10-21-15-23/h4-12,15,22H,3,13-14H2,1-2H3
InChIKeyRSCHPVNMJNDYKD-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.11
Rot. Bonds7

About N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline

N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline (PubChem CID 167788715) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline
PubChem CID167788715
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline
SMILESCCc1cc(OC)ccc1CNc1ccccc1Cn1ccnc1
InChIInChI=1S/C20H23N3O/c1-3-16-12-19(24-2)9-8-17(16)13-22-20-7-5-4-6-18(20)14-23-11-10-21-15-23/h4-12,15,22H,3,13-14H2,1-2H3
InChIKeyRSCHPVNMJNDYKD-UHFFFAOYSA-N
XLogP4.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate
CID 57306427
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
CID 20956347
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
CID 113314786
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969350
1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 55793735
4-[2-(imidazol-1-ylmethyl)-4-methoxyphenyl]but-3-yn-1-ol
CID 65323683

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline?
The IUPAC name of N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline (CID 167788715) is N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline is CCc1cc(OC)ccc1CNc1ccccc1Cn1ccnc1.
What is the InChIKey of N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline?
The InChIKey is RSCHPVNMJNDYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-16-12-19(24-2)9-8-17(16)13-22-20-7-5-4-6-18(20)14-23-11-10-21-15-23/h4-12,15,22H,3,13-14H2,1-2H3.
What are the key properties of N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline?
N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline has a molecular weight of 321.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline is sourced from PubChem (CID 167788715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).