N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride

C19H23Cl2N3O — CID 45264605

IUPACN-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride
SMILESCOc1ccccc1-c1ncc(CN(C)Cc2ccccc2)[nH]1.Cl.Cl
InChIInChI=1S/C19H21N3O.2ClH/c1-22(13-15-8-4-3-5-9-15)14-16-12-20-19(21-16)17-10-6-7-11-18(17)23-2;;/h3-12H,13-14H2,1-2H3,(H,20,21);2*1H
InChIKeySPRDZMNXNJKEJA-UHFFFAOYSA-N
MW380.32 g/mol
LogP4.56
Rot. Bonds6

About N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride

N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride (PubChem CID 45264605) has the molecular formula C19H23Cl2N3O and a molecular weight of 380.32 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride
PubChem CID45264605
Molecular FormulaC19H23Cl2N3O
Molecular Weight380.32 g/mol
Exact Mass379.12
IUPAC NameN-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride
SMILESCOc1ccccc1-c1ncc(CN(C)Cc2ccccc2)[nH]1.Cl.Cl
InChIInChI=1S/C19H21N3O.2ClH/c1-22(13-15-8-4-3-5-9-15)14-16-12-20-19(21-16)17-10-6-7-11-18(17)23-2;;/h3-12H,13-14H2,1-2H3,(H,20,21);2*1H
InChIKeySPRDZMNXNJKEJA-UHFFFAOYSA-N
XLogP4.56
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride?
The IUPAC name of N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride (CID 45264605) is N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride?
The canonical SMILES for N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride is COc1ccccc1-c1ncc(CN(C)Cc2ccccc2)[nH]1.Cl.Cl.
What is the InChIKey of N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride?
The InChIKey is SPRDZMNXNJKEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.2ClH/c1-22(13-15-8-4-3-5-9-15)14-16-12-20-19(21-16)17-10-6-7-11-18(17)23-2;;/h3-12H,13-14H2,1-2H3,(H,20,21);2*1H.
What are the key properties of N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride?
N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride has a molecular weight of 380.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride is sourced from PubChem (CID 45264605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).