N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine

C19H20ClN3O2 — CID 131919120

IUPACN-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine
SMILESCOc1cc(Cl)cc(CNCc2ccccc2-n2ccnc2)c1OC
InChIInChI=1S/C19H20ClN3O2/c1-24-18-10-16(20)9-15(19(18)25-2)12-22-11-14-5-3-4-6-17(14)23-8-7-21-13-23/h3-10,13,22H,11-12H2,1-2H3
InChIKeyGGPZZUFYZQQDEE-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.83
Rot. Bonds7

About N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine

N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine (PubChem CID 131919120) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine
PubChem CID131919120
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine
SMILESCOc1cc(Cl)cc(CNCc2ccccc2-n2ccnc2)c1OC
InChIInChI=1S/C19H20ClN3O2/c1-24-18-10-16(20)9-15(19(18)25-2)12-22-11-14-5-3-4-6-17(14)23-8-7-21-13-23/h3-10,13,22H,11-12H2,1-2H3
InChIKeyGGPZZUFYZQQDEE-UHFFFAOYSA-N
XLogP3.83
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine (CID 131919120) is N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine is COc1cc(Cl)cc(CNCc2ccccc2-n2ccnc2)c1OC.
What is the InChIKey of N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine?
The InChIKey is GGPZZUFYZQQDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-24-18-10-16(20)9-15(19(18)25-2)12-22-11-14-5-3-4-6-17(14)23-8-7-21-13-23/h3-10,13,22H,11-12H2,1-2H3.
What are the key properties of N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine?
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine has a molecular weight of 357.84 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine is sourced from PubChem (CID 131919120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).