1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride

C13H18BrCl2N3O — CID 139798464

IUPAC1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride
SMILESCOc1ccc(Br)cc1CN(C)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C13H16BrN3O.2ClH/c1-16(10-17-6-5-15-9-17)8-11-7-12(14)3-4-13(11)18-2;;/h3-7,9H,8,10H2,1-2H3;2*1H
InChIKeyRMFRLHDXJPXALB-UHFFFAOYSA-N
MW383.12 g/mol
LogP3.59
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride

1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride (PubChem CID 139798464) has the molecular formula C13H18BrCl2N3O and a molecular weight of 383.12 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride
PubChem CID139798464
Molecular FormulaC13H18BrCl2N3O
Molecular Weight383.12 g/mol
Exact Mass381.00
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride
SMILESCOc1ccc(Br)cc1CN(C)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C13H16BrN3O.2ClH/c1-16(10-17-6-5-15-9-17)8-11-7-12(14)3-4-13(11)18-2;;/h3-7,9H,8,10H2,1-2H3;2*1H
InChIKeyRMFRLHDXJPXALB-UHFFFAOYSA-N
XLogP3.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.12
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride (CID 139798464) is 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride is COc1ccc(Br)cc1CN(C)Cn1ccnc1.Cl.Cl.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride?
The InChIKey is RMFRLHDXJPXALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O.2ClH/c1-16(10-17-6-5-15-9-17)8-11-7-12(14)3-4-13(11)18-2;;/h3-7,9H,8,10H2,1-2H3;2*1H.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride?
1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride has a molecular weight of 383.12 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-(imidazol-1-ylmethyl)-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 139798464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).