2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine

C26H28BrN3O — CID 19353970

IUPAC2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCc1cccc(-c2nc3ccc(OC(C)CN(C)C)cc3n2Cc2ccccc2Br)c1
InChIInChI=1S/C26H28BrN3O/c1-18-8-7-10-20(14-18)26-28-24-13-12-22(31-19(2)16-29(3)4)15-25(24)30(26)17-21-9-5-6-11-23(21)27/h5-15,19H,16-17H2,1-4H3
InChIKeyYXRQTIRXNWMHKC-UHFFFAOYSA-N
MW478.43 g/mol
LogP6.15
Rot. Bonds7

About 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine

2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 19353970) has the molecular formula C26H28BrN3O and a molecular weight of 478.43 g/mol. Its IUPAC name is 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID19353970
Molecular FormulaC26H28BrN3O
Molecular Weight478.43 g/mol
Exact Mass477.14
IUPAC Name2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCc1cccc(-c2nc3ccc(OC(C)CN(C)C)cc3n2Cc2ccccc2Br)c1
InChIInChI=1S/C26H28BrN3O/c1-18-8-7-10-20(14-18)26-28-24-13-12-22(31-19(2)16-29(3)4)15-25(24)30(26)17-21-9-5-6-11-23(21)27/h5-15,19H,16-17H2,1-4H3
InChIKeyYXRQTIRXNWMHKC-UHFFFAOYSA-N
XLogP6.15
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.43
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine 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 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine (CID 19353970) is 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine is Cc1cccc(-c2nc3ccc(OC(C)CN(C)C)cc3n2Cc2ccccc2Br)c1.
What is the InChIKey of 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is YXRQTIRXNWMHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN3O/c1-18-8-7-10-20(14-18)26-28-24-13-12-22(31-19(2)16-29(3)4)15-25(24)30(26)17-21-9-5-6-11-23(21)27/h5-15,19H,16-17H2,1-4H3.
What are the key properties of 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine?
2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 478.43 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 19353970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).