5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine

C15H20BrN3 — CID 64915829

IUPAC5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine
SMILESCCC1CCC(n2c(N)nc3cc(Br)ccc32)C1C
InChIInChI=1S/C15H20BrN3/c1-3-10-4-6-13(9(10)2)19-14-7-5-11(16)8-12(14)18-15(19)17/h5,7-10,13H,3-4,6H2,1-2H3,(H2,17,18)
InChIKeyMXYVNSBNFYKYBU-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.38
Rot. Bonds2

About 5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine

5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine (PubChem CID 64915829) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine
PubChem CID64915829
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine
SMILESCCC1CCC(n2c(N)nc3cc(Br)ccc32)C1C
InChIInChI=1S/C15H20BrN3/c1-3-10-4-6-13(9(10)2)19-14-7-5-11(16)8-12(14)18-15(19)17/h5,7-10,13H,3-4,6H2,1-2H3,(H2,17,18)
InChIKeyMXYVNSBNFYKYBU-UHFFFAOYSA-N
XLogP4.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine (CID 64915829) is 5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine is CCC1CCC(n2c(N)nc3cc(Br)ccc32)C1C.
What is the InChIKey of 5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine?
The InChIKey is MXYVNSBNFYKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-3-10-4-6-13(9(10)2)19-14-7-5-11(16)8-12(14)18-15(19)17/h5,7-10,13H,3-4,6H2,1-2H3,(H2,17,18).
What are the key properties of 5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine?
5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine is sourced from PubChem (CID 64915829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).