[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride

C12H16ClN3O — CID 162423000

IUPAC[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
SMILESCOc1ccccc1Cn1ccnc1CN.Cl
InChIInChI=1S/C12H15N3O.ClH/c1-16-11-5-3-2-4-10(11)9-15-7-6-14-12(15)8-13;/h2-7H,8-9,13H2,1H3;1H
InChIKeyYNIRBFDIJBDJHU-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.82
Rot. Bonds4

About [1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride

[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride (PubChem CID 162423000) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is [1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
PubChem CID162423000
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
SMILESCOc1ccccc1Cn1ccnc1CN.Cl
InChIInChI=1S/C12H15N3O.ClH/c1-16-11-5-3-2-4-10(11)9-15-7-6-14-12(15)8-13;/h2-7H,8-9,13H2,1H3;1H
InChIKeyYNIRBFDIJBDJHU-UHFFFAOYSA-N
XLogP1.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
2-[[2-[(2-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82557961
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
[1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol
CID 166381140
3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyaniline
CID 61402513
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 29063574
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
1-(1-ethylimidazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 63970215
2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole
CID 82561895
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111339368

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride (CID 162423000) is [1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride is COc1ccccc1Cn1ccnc1CN.Cl.
What is the InChIKey of [1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride?
The InChIKey is YNIRBFDIJBDJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/c1-16-11-5-3-2-4-10(11)9-15-7-6-14-12(15)8-13;/h2-7H,8-9,13H2,1H3;1H.
What are the key properties of [1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride?
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 162423000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).