1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine

C16H22FN3 — CID 62377574

IUPAC1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine
SMILESCCn1c(C2(N)CCCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-2-20-14-11-12(17)7-8-13(14)19-15(20)16(18)9-5-3-4-6-10-16/h7-8,11H,2-6,9-10,18H2,1H3
InChIKeyXDKAZESKCBQTHI-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.70
Rot. Bonds2

About 1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine

1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine (PubChem CID 62377574) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine
PubChem CID62377574
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine
SMILESCCn1c(C2(N)CCCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-2-20-14-11-12(17)7-8-13(14)19-15(20)16(18)9-5-3-4-6-10-16/h7-8,11H,2-6,9-10,18H2,1H3
InChIKeyXDKAZESKCBQTHI-UHFFFAOYSA-N
XLogP3.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine (CID 62377574) is 1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine is CCn1c(C2(N)CCCCCC2)nc2ccc(F)cc21.
What is the InChIKey of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine?
The InChIKey is XDKAZESKCBQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-2-20-14-11-12(17)7-8-13(14)19-15(20)16(18)9-5-3-4-6-10-16/h7-8,11H,2-6,9-10,18H2,1H3.
What are the key properties of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine?
1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-6-fluorobenzimidazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 62377574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).