2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline

C17H17N3O — CID 82559128

IUPAC2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
SMILESCOc1cccc(-c2nccn2Cc2ccccc2N)c1
InChIInChI=1S/C17H17N3O/c1-21-15-7-4-6-13(11-15)17-19-9-10-20(17)12-14-5-2-3-8-16(14)18/h2-11H,12,18H2,1H3
InChIKeyJGFNDQVHIJKDHZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.19
Rot. Bonds4

About 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline

2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline (PubChem CID 82559128) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
PubChem CID82559128
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
SMILESCOc1cccc(-c2nccn2Cc2ccccc2N)c1
InChIInChI=1S/C17H17N3O/c1-21-15-7-4-6-13(11-15)17-19-9-10-20(17)12-14-5-2-3-8-16(14)18/h2-11H,12,18H2,1H3
InChIKeyJGFNDQVHIJKDHZ-UHFFFAOYSA-N
XLogP3.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569
2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline
CID 82558943
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
2-[(2-pyridin-4-ylimidazol-1-yl)methyl]aniline
CID 82558959
2-(3-methoxyphenyl)-1-[(4-nitro-2-phenylphenyl)methyl]imidazole
CID 91101253
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560728
1-[(2-chlorophenyl)methyl]-2-(5-methoxy-2-phenylphenyl)imidazole
CID 90791888
1-bromo-2-(3-methoxyphenyl)imidazole
CID 175313145
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559570
2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559693

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline?
The IUPAC name of 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline (CID 82559128) is 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline is COc1cccc(-c2nccn2Cc2ccccc2N)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline?
The InChIKey is JGFNDQVHIJKDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-15-7-4-6-13(11-15)17-19-9-10-20(17)12-14-5-2-3-8-16(14)18/h2-11H,12,18H2,1H3.
What are the key properties of 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline?
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline has a molecular weight of 279.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline is sourced from PubChem (CID 82559128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).