2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline

C18H19N3O — CID 82557938

IUPAC2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
SMILESCOc1ccc(Cc2nccn2Cc2ccccc2N)cc1
InChIInChI=1S/C18H19N3O/c1-22-16-8-6-14(7-9-16)12-18-20-10-11-21(18)13-15-4-2-3-5-17(15)19/h2-11H,12-13,19H2,1H3
InChIKeyLBPXMNQMVICFMO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.11
Rot. Bonds5

About 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline

2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline (PubChem CID 82557938) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline.

Molecular Properties

Compound Name2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
PubChem CID82557938
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
SMILESCOc1ccc(Cc2nccn2Cc2ccccc2N)cc1
InChIInChI=1S/C18H19N3O/c1-22-16-8-6-14(7-9-16)12-18-20-10-11-21(18)13-15-4-2-3-5-17(15)19/h2-11H,12-13,19H2,1H3
InChIKeyLBPXMNQMVICFMO-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.11
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-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82559982
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline
CID 82557902
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561426
2-[[2-[(4-aminophenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558661
2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
CID 82559937
methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82560948
2-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558825
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
2-[[2-[(2-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82557961
2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline
CID 82558780

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline?
The IUPAC name of 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline (CID 82557938) is 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline.
What is the SMILES notation for 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline?
The canonical SMILES for 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline is COc1ccc(Cc2nccn2Cc2ccccc2N)cc1.
What is the InChIKey of 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline?
The InChIKey is LBPXMNQMVICFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-16-8-6-14(7-9-16)12-18-20-10-11-21(18)13-15-4-2-3-5-17(15)19/h2-11H,12-13,19H2,1H3.
What are the key properties of 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline?
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline has a molecular weight of 293.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline is sourced from PubChem (CID 82557938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).