[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine

C13H16ClN3 — CID 113311165

IUPAC[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
SMILESCn1c(C2(CN)CCC2)nc2cccc(Cl)c21
InChIInChI=1S/C13H16ClN3/c1-17-11-9(14)4-2-5-10(11)16-12(17)13(8-15)6-3-7-13/h2,4-5H,3,6-8,15H2,1H3
InChIKeyWUBJVJTXYMENOF-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.61
Rot. Bonds2

About [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine

[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine (PubChem CID 113311165) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
PubChem CID113311165
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
SMILESCn1c(C2(CN)CCC2)nc2cccc(Cl)c21
InChIInChI=1S/C13H16ClN3/c1-17-11-9(14)4-2-5-10(11)16-12(17)13(8-15)6-3-7-13/h2,4-5H,3,6-8,15H2,1H3
InChIKeyWUBJVJTXYMENOF-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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-methylbenzimidazol-2-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine (CID 113311165) is [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine is Cn1c(C2(CN)CCC2)nc2cccc(Cl)c21.
What is the InChIKey of [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine?
The InChIKey is WUBJVJTXYMENOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-17-11-9(14)4-2-5-10(11)16-12(17)13(8-15)6-3-7-13/h2,4-5H,3,6-8,15H2,1H3.
What are the key properties of [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine?
[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine has a molecular weight of 249.74 g/mol, XLogP of 2.61, 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-methylbenzimidazol-2-yl)cyclobutyl]methanamine is sourced from PubChem (CID 113311165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).