2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine

C11H13Cl2N3O — CID 82146026

IUPAC2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine
SMILESCOCc1nc2cc(Cl)c(Cl)cc2n1CCN
InChIInChI=1S/C11H13Cl2N3O/c1-17-6-11-15-9-4-7(12)8(13)5-10(9)16(11)3-2-14/h4-5H,2-3,6,14H2,1H3
InChIKeyQRRXIWVILGJJHL-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.45
Rot. Bonds4

About 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine

2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine (PubChem CID 82146026) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine
PubChem CID82146026
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine
SMILESCOCc1nc2cc(Cl)c(Cl)cc2n1CCN
InChIInChI=1S/C11H13Cl2N3O/c1-17-6-11-15-9-4-7(12)8(13)5-10(9)16(11)3-2-14/h4-5H,2-3,6,14H2,1H3
InChIKeyQRRXIWVILGJJHL-UHFFFAOYSA-N
XLogP2.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-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

3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82003895
2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82146284
[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 94756849
4-[5,6-dichloro-2-(2-methylpropyl)benzimidazol-1-yl]butan-1-amine
CID 94749196
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide
CID 82150228
2-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]ethyl carbamate
CID 83203162
1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 718215
3-[5,6-dimethoxy-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 61365700
2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145306
3-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106037447
2-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308639

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine (CID 82146026) is 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine is COCc1nc2cc(Cl)c(Cl)cc2n1CCN.
What is the InChIKey of 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine?
The InChIKey is QRRXIWVILGJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c1-17-6-11-15-9-4-7(12)8(13)5-10(9)16(11)3-2-14/h4-5H,2-3,6,14H2,1H3.
What are the key properties of 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine?
2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine has a molecular weight of 274.15 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 82146026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).