(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine

C17H18BrN3 — CID 78921225

IUPAC(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nc2ccccc2n1C)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3/c1-12(13-7-9-14(18)10-8-13)19-11-17-20-15-5-3-4-6-16(15)21(17)2/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1
InChIKeyPSCYGIFUBKGAIH-GFCCVEGCSA-N
MW344.26 g/mol
LogP4.19
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 78921225) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID78921225
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nc2ccccc2n1C)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3/c1-12(13-7-9-14(18)10-8-13)19-11-17-20-15-5-3-4-6-16(15)21(17)2/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1
InChIKeyPSCYGIFUBKGAIH-GFCCVEGCSA-N
XLogP4.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610
1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790
4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194560
N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine
CID 71876443
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
CID 63000965
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640025
(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 111449974
(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81359642
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449850

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (CID 78921225) is (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine is C[C@@H](NCc1nc2ccccc2n1C)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is PSCYGIFUBKGAIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-12(13-7-9-14(18)10-8-13)19-11-17-20-15-5-3-4-6-16(15)21(17)2/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 344.26 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 78921225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).