5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one

C15H20BrN3O — CID 43790096

IUPAC5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)C1CCCCC1
InChIInChI=1S/C15H20BrN3O/c1-9(10-5-3-2-4-6-10)17-12-8-14-13(7-11(12)16)18-15(20)19-14/h7-10,17H,2-6H2,1H3,(H2,18,19,20)
InChIKeyBIUUSXZCQOEKOB-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.00
Rot. Bonds3

About 5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43790096) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID43790096
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)C1CCCCC1
InChIInChI=1S/C15H20BrN3O/c1-9(10-5-3-2-4-6-10)17-12-8-14-13(7-11(12)16)18-15(20)19-14/h7-10,17H,2-6H2,1H3,(H2,18,19,20)
InChIKeyBIUUSXZCQOEKOB-UHFFFAOYSA-N
XLogP4.00
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one (CID 43790096) is 5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one is CC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)C1CCCCC1.
What is the InChIKey of 5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BIUUSXZCQOEKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-9(10-5-3-2-4-6-10)17-12-8-14-13(7-11(12)16)18-15(20)19-14/h7-10,17H,2-6H2,1H3,(H2,18,19,20).
What are the key properties of 5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 338.25 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43790096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).