2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole

C14H18ClN3 — CID 116682105

IUPAC2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
SMILESCCn1c(C(C)C2CNC2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3/c1-3-18-13-5-4-11(15)6-12(13)17-14(18)9(2)10-7-16-8-10/h4-6,9-10,16H,3,7-8H2,1-2H3
InChIKeyMOCIQPRLPNHKHP-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.03
Rot. Bonds3

About 2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole

2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole (PubChem CID 116682105) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
PubChem CID116682105
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
SMILESCCn1c(C(C)C2CNC2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3/c1-3-18-13-5-4-11(15)6-12(13)17-14(18)9(2)10-7-16-8-10/h4-6,9-10,16H,3,7-8H2,1-2H3
InChIKeyMOCIQPRLPNHKHP-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole
CID 116682163
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
CID 61015427
5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
CID 46310477
ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
CID 79474797
(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
CID 60784401
2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309377
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
1-(5-chloro-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827617
6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 115472704
3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308838
(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol
CID 51978429

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole?
The IUPAC name of 2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole (CID 116682105) is 2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole.
What is the SMILES notation for 2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole?
The canonical SMILES for 2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole is CCn1c(C(C)C2CNC2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole?
The InChIKey is MOCIQPRLPNHKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-18-13-5-4-11(15)6-12(13)17-14(18)9(2)10-7-16-8-10/h4-6,9-10,16H,3,7-8H2,1-2H3.
What are the key properties of 2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole?
2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole has a molecular weight of 263.77 g/mol, XLogP of 3.03, 3 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]-5-chloro-1-ethylbenzimidazole is sourced from PubChem (CID 116682105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).