5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride

C19H22ClN3O2 — CID 51114924

IUPAC5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1ccc(CNCc2ccc(Cn3ccnc3)cc2)cc1O.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-24-19-7-6-17(10-18(19)23)12-21-11-15-2-4-16(5-3-15)13-22-9-8-20-14-22;/h2-10,14,21,23H,11-13H2,1H3;1H
InChIKeyQUXVFLPHVIRVKY-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.36
Rot. Bonds7

About 5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride

5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride (PubChem CID 51114924) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride
PubChem CID51114924
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1ccc(CNCc2ccc(Cn3ccnc3)cc2)cc1O.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-24-19-7-6-17(10-18(19)23)12-21-11-15-2-4-16(5-3-15)13-22-9-8-20-14-22;/h2-10,14,21,23H,11-13H2,1H3;1H
InChIKeyQUXVFLPHVIRVKY-UHFFFAOYSA-N
XLogP3.36
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 61494612
1-(3-bromophenyl)-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]methanamine
CID 20956367
4-[(2-imidazol-1-ylethylamino)methyl]benzene-1,2-diol
CID 60664482
1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808687
N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
CID 20956347
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
methyl 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4-methoxybenzoate
CID 100539709
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216017
5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol
CID 58654367
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine
CID 111589518
2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol
CID 86812024
5-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
CID 115885619

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride (CID 51114924) is 5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride is COc1ccc(CNCc2ccc(Cn3ccnc3)cc2)cc1O.Cl.
What is the InChIKey of 5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride?
The InChIKey is QUXVFLPHVIRVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c1-24-19-7-6-17(10-18(19)23)12-21-11-15-2-4-16(5-3-15)13-22-9-8-20-14-22;/h2-10,14,21,23H,11-13H2,1H3;1H.
What are the key properties of 5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride?
5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 51114924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).