1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine

C13H16ClN3 — CID 81161604

IUPAC1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine
SMILESCCn1c(C2(N)CCC2)nc2cccc(Cl)c21
InChIInChI=1S/C13H16ClN3/c1-2-17-11-9(14)5-3-6-10(11)16-12(17)13(15)7-4-8-13/h3,5-6H,2,4,7-8,15H2,1H3
InChIKeyLIFSPDIDXIMPAU-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.05
Rot. Bonds2

About 1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine

1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine (PubChem CID 81161604) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine
PubChem CID81161604
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine
SMILESCCn1c(C2(N)CCC2)nc2cccc(Cl)c21
InChIInChI=1S/C13H16ClN3/c1-2-17-11-9(14)5-3-6-10(11)16-12(17)13(15)7-4-8-13/h3,5-6H,2,4,7-8,15H2,1H3
InChIKeyLIFSPDIDXIMPAU-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine (CID 81161604) is 1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine is CCn1c(C2(N)CCC2)nc2cccc(Cl)c21.
What is the InChIKey of 1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine?
The InChIKey is LIFSPDIDXIMPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-17-11-9(14)5-3-6-10(11)16-12(17)13(15)7-4-8-13/h3,5-6H,2,4,7-8,15H2,1H3.
What are the key properties of 1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine?
1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 81161604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).