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

C17H17N3O — CID 60813843

IUPAC3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
SMILESCOc1cccc(Cn2ccnc2-c2cccc(N)c2)c1
InChIInChI=1S/C17H17N3O/c1-21-16-7-2-4-13(10-16)12-20-9-8-19-17(20)14-5-3-6-15(18)11-14/h2-11H,12,18H2,1H3
InChIKeyXVNNPOZUNLNTCU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.19
Rot. Bonds4

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

3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline (PubChem CID 60813843) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
PubChem CID60813843
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
SMILESCOc1cccc(Cn2ccnc2-c2cccc(N)c2)c1
InChIInChI=1S/C17H17N3O/c1-21-16-7-2-4-13(10-16)12-20-9-8-19-17(20)14-5-3-6-15(18)11-14/h2-11H,12,18H2,1H3
InChIKeyXVNNPOZUNLNTCU-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]aniline
CID 82559128
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline
CID 63985676
3-[1-[(4-iodophenyl)methyl]imidazol-2-yl]aniline
CID 65477799
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559570
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine
CID 166620627
3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline
CID 82866200
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569
3-(1-butylimidazol-2-yl)aniline
CID 60813678
3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline
CID 107042816
3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine
CID 18379860

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline?
The IUPAC name of 3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline (CID 60813843) is 3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline.
What is the SMILES notation for 3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline?
The canonical SMILES for 3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline is COc1cccc(Cn2ccnc2-c2cccc(N)c2)c1.
What is the InChIKey of 3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline?
The InChIKey is XVNNPOZUNLNTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-16-7-2-4-13(10-16)12-20-9-8-19-17(20)14-5-3-6-15(18)11-14/h2-11H,12,18H2,1H3.
What are the key properties of 3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline?
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]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 3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline is sourced from PubChem (CID 60813843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).