1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine

C15H16BrN3O — CID 106858090

IUPAC1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)c1ccoc1Br
InChIInChI=1S/C15H16BrN3O/c1-17-12(10-7-8-20-15(10)16)9-14-18-11-5-3-4-6-13(11)19(14)2/h3-8,12,17H,9H2,1-2H3
InChIKeyZJLVOAWVLXIBMV-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.43
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine

1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 106858090) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID106858090
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)c1ccoc1Br
InChIInChI=1S/C15H16BrN3O/c1-17-12(10-7-8-20-15(10)16)9-14-18-11-5-3-4-6-13(11)19(14)2/h3-8,12,17H,9H2,1-2H3
InChIKeyZJLVOAWVLXIBMV-UHFFFAOYSA-N
XLogP3.43
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)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

1-(furan-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750479
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878188
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530552
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79750179
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82896332
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105164834
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79750104
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105164915
1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064877
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 106857916
[1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 107970439

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine (CID 106858090) is 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine is CNC(Cc1nc2ccccc2n1C)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is ZJLVOAWVLXIBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-17-12(10-7-8-20-15(10)16)9-14-18-11-5-3-4-6-13(11)19(14)2/h3-8,12,17H,9H2,1-2H3.
What are the key properties of 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 334.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 106858090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).