2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole

C13H16ClN3 — CID 116682119

IUPAC2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole
SMILESCC(c1nc2cccc(Cl)c2n1C)C1CNC1
InChIInChI=1S/C13H16ClN3/c1-8(9-6-15-7-9)13-16-11-5-3-4-10(14)12(11)17(13)2/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyBMLBXXGFSGJGPH-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.55
Rot. Bonds2

About 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole

2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole (PubChem CID 116682119) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole
PubChem CID116682119
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole
SMILESCC(c1nc2cccc(Cl)c2n1C)C1CNC1
InChIInChI=1S/C13H16ClN3/c1-8(9-6-15-7-9)13-16-11-5-3-4-10(14)12(11)17(13)2/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyBMLBXXGFSGJGPH-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole 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

7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
CID 83868053
2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 62853148
7-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 43666432
(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 55108333
N-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]azetidin-3-amine
CID 66185196
1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 60787763
(1S)-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)ethanamine
CID 83868081
2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
CID 116682105
2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole
CID 116682163
7-chloro-2-(1-chloroethyl)-1-cycloheptylbenzimidazole
CID 43667424
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole?
The IUPAC name of 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole (CID 116682119) is 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole.
What is the SMILES notation for 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole?
The canonical SMILES for 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole is CC(c1nc2cccc(Cl)c2n1C)C1CNC1.
What is the InChIKey of 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole?
The InChIKey is BMLBXXGFSGJGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8(9-6-15-7-9)13-16-11-5-3-4-10(14)12(11)17(13)2/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole?
2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole has a molecular weight of 249.74 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole is sourced from PubChem (CID 116682119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).