[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride

C17H18ClN3O — CID 70196692

IUPAC[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
SMILESCOc1ccc(-c2cnc(-c3cccc(CN)c3)[nH]2)cc1.Cl
InChIInChI=1S/C17H17N3O.ClH/c1-21-15-7-5-13(6-8-15)16-11-19-17(20-16)14-4-2-3-12(9-14)10-18;/h2-9,11H,10,18H2,1H3,(H,19,20);1H
InChIKeyLZLQQTUMOPCCIS-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.63
Rot. Bonds4

About [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride

[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride (PubChem CID 70196692) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
PubChem CID70196692
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
SMILESCOc1ccc(-c2cnc(-c3cccc(CN)c3)[nH]2)cc1.Cl
InChIInChI=1S/C17H17N3O.ClH/c1-21-15-7-5-13(6-8-15)16-11-19-17(20-16)14-4-2-3-12(9-14)10-18;/h2-9,11H,10,18H2,1H3,(H,19,20);1H
InChIKeyLZLQQTUMOPCCIS-UHFFFAOYSA-N
XLogP3.63
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride (CID 70196692) is [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride is COc1ccc(-c2cnc(-c3cccc(CN)c3)[nH]2)cc1.Cl.
What is the InChIKey of [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride?
The InChIKey is LZLQQTUMOPCCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O.ClH/c1-21-15-7-5-13(6-8-15)16-11-19-17(20-16)14-4-2-3-12(9-14)10-18;/h2-9,11H,10,18H2,1H3,(H,19,20);1H.
What are the key properties of [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride?
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 70196692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).