2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole

C14H18ClN3 — CID 116682163

IUPAC2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole
SMILESCCn1c(C(C)C2CNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-3-18-13-6-11(15)4-5-12(13)17-14(18)9(2)10-7-16-8-10/h4-6,9-10,16H,3,7-8H2,1-2H3
InChIKeyWTGWVHIIBBURGN-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.03
Rot. Bonds3

About 2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole

2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole (PubChem CID 116682163) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole
PubChem CID116682163
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole
SMILESCCn1c(C(C)C2CNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-3-18-13-6-11(15)4-5-12(13)17-14(18)9(2)10-7-16-8-10/h4-6,9-10,16H,3,7-8H2,1-2H3
InChIKeyWTGWVHIIBBURGN-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]-5-chloro-1-ethylbenzimidazole
CID 116682105
6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 115472704
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177181
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983266
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 115472454
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
CID 61015427
2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 115472729

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole?
The IUPAC name of 2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole (CID 116682163) is 2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole.
What is the SMILES notation for 2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole?
The canonical SMILES for 2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole is CCn1c(C(C)C2CNC2)nc2ccc(Cl)cc21.
What is the InChIKey of 2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole?
The InChIKey is WTGWVHIIBBURGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-18-13-6-11(15)4-5-12(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]-6-chloro-1-ethylbenzimidazole?
2-[1-(azetidin-3-yl)ethyl]-6-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]-6-chloro-1-ethylbenzimidazole is sourced from PubChem (CID 116682163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).