3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine

C14H19Cl2N3 — CID 43666496

IUPAC3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C14H19Cl2N3/c1-18(2)8-3-9-19-13-5-4-11(16)10-12(13)17-14(19)6-7-15/h4-5,10H,3,6-9H2,1-2H3
InChIKeyRAZXIHBRTWGOHW-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.42
Rot. Bonds6

About 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine

3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 43666496) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID43666496
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C14H19Cl2N3/c1-18(2)8-3-9-19-13-5-4-11(16)10-12(13)17-14(19)6-7-15/h4-5,10H,3,6-9H2,1-2H3
InChIKeyRAZXIHBRTWGOHW-UHFFFAOYSA-N
XLogP3.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-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

Related Compounds

[5-chloro-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methanethiol
CID 82332768
4-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66080468
3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309007
3-[2-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420185
5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
CID 113450562
5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 60902566
methyl 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanoate
CID 61292993
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
3-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 115552736

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine (CID 43666496) is 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1c(CCCl)nc2cc(Cl)ccc21.
What is the InChIKey of 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is RAZXIHBRTWGOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3/c1-18(2)8-3-9-19-13-5-4-11(16)10-12(13)17-14(19)6-7-15/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 300.23 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 43666496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).