[3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine

C18H19N3O — CID 175228436

IUPAC[3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1-c1cn(Cc2ccccc2)cn1
InChIInChI=1S/C18H19N3O/c1-22-18-8-7-15(10-19)9-16(18)17-12-21(13-20-17)11-14-5-3-2-4-6-14/h2-9,12-13H,10-11,19H2,1H3
InChIKeyQICNYFVYYDUWHY-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.07
Rot. Bonds5

About [3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine

[3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine (PubChem CID 175228436) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is [3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine
PubChem CID175228436
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name[3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1-c1cn(Cc2ccccc2)cn1
InChIInChI=1S/C18H19N3O/c1-22-18-8-7-15(10-19)9-16(18)17-12-21(13-20-17)11-14-5-3-2-4-6-14/h2-9,12-13H,10-11,19H2,1H3
InChIKeyQICNYFVYYDUWHY-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-pyridin-2-ylphenyl)methanamine
CID 82508814
(1-benzylimidazol-4-yl)methanamine
CID 82281097
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
CID 62016875
4-(1-benzylimidazol-4-yl)-7-methoxychromen-2-one
CID 57468505
2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid
CID 82302594
1-[(4-chlorophenyl)methyl]-4-phenylimidazole
CID 18755603
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
CID 82072343
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369

Frequently Asked Questions

What is the IUPAC name of [3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine?
The IUPAC name of [3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine (CID 175228436) is [3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1-c1cn(Cc2ccccc2)cn1.
What is the InChIKey of [3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine?
The InChIKey is QICNYFVYYDUWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-18-8-7-15(10-19)9-16(18)17-12-21(13-20-17)11-14-5-3-2-4-6-14/h2-9,12-13H,10-11,19H2,1H3.
What are the key properties of [3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine?
[3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine has a molecular weight of 293.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 175228436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).