N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine

C18H18ClN3O — CID 126809172

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
SMILESCOc1cccc(Cl)c1CNC(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C18H18ClN3O/c1-23-16-9-5-8-15(19)14(16)12-22-17(18-20-10-11-21-18)13-6-3-2-4-7-13/h2-11,17,22H,12H2,1H3,(H,20,21)
InChIKeyIXOQCUHWNFFIOT-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.95
Rot. Bonds6

About N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine (PubChem CID 126809172) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
PubChem CID126809172
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
SMILESCOc1cccc(Cl)c1CNC(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C18H18ClN3O/c1-23-16-9-5-8-15(19)14(16)12-22-17(18-20-10-11-21-18)13-6-3-2-4-7-13/h2-11,17,22H,12H2,1H3,(H,20,21)
InChIKeyIXOQCUHWNFFIOT-UHFFFAOYSA-N
XLogP3.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
CID 104815845
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
CID 124512474
N-[1H-imidazol-2-yl(phenyl)methyl]-2-methylsulfanylethanamine
CID 86804118
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 103291840
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4-pyridin-4-ylphenyl)ethanamine
CID 167845992
4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 86804128
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine (CID 126809172) is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine is COc1cccc(Cl)c1CNC(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine?
The InChIKey is IXOQCUHWNFFIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-23-16-9-5-8-15(19)14(16)12-22-17(18-20-10-11-21-18)13-6-3-2-4-7-13/h2-11,17,22H,12H2,1H3,(H,20,21).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine has a molecular weight of 327.82 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 126809172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).