[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine

C12H15N3O — CID 82285154

IUPAC[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
SMILESCOc1ccc(-c2cnc(CN)[nH]2)cc1C
InChIInChI=1S/C12H15N3O/c1-8-5-9(3-4-11(8)16-2)10-7-14-12(6-13)15-10/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyFRHQTPMBKMSRQN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.85
Rot. Bonds3

About [5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine

[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine (PubChem CID 82285154) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
PubChem CID82285154
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
SMILESCOc1ccc(-c2cnc(CN)[nH]2)cc1C
InChIInChI=1S/C12H15N3O/c1-8-5-9(3-4-11(8)16-2)10-7-14-12(6-13)15-10/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyFRHQTPMBKMSRQN-UHFFFAOYSA-N
XLogP1.85
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880882
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 116883439
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517371
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879058
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine
CID 115029246

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine (CID 82285154) is [5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine is COc1ccc(-c2cnc(CN)[nH]2)cc1C.
What is the InChIKey of [5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine?
The InChIKey is FRHQTPMBKMSRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-5-9(3-4-11(8)16-2)10-7-14-12(6-13)15-10/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of [5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine?
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 82285154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).