5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one

C15H20BrN3O — CID 64761058

IUPAC5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCC1CCC(C)C(Nc2cc3[nH]c(=O)[nH]c3cc2Br)C1
InChIInChI=1S/C15H20BrN3O/c1-8-3-4-9(2)11(5-8)17-12-7-14-13(6-10(12)16)18-15(20)19-14/h6-9,11,17H,3-5H2,1-2H3,(H2,18,19,20)
InChIKeyKIGRBFSIOBXOCV-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.86
Rot. Bonds2

About 5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 64761058) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID64761058
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCC1CCC(C)C(Nc2cc3[nH]c(=O)[nH]c3cc2Br)C1
InChIInChI=1S/C15H20BrN3O/c1-8-3-4-9(2)11(5-8)17-12-7-14-13(6-10(12)16)18-15(20)19-14/h6-9,11,17H,3-5H2,1-2H3,(H2,18,19,20)
InChIKeyKIGRBFSIOBXOCV-UHFFFAOYSA-N
XLogP3.86
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65080019
5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 43741303
5-bromo-6-[(4-hydroxycyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 106594161
4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline
CID 64773689
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778104
3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 64762886
5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43790096
5-bromo-6-(3-methylbutan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741366
5-[(2,5-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761998
3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline
CID 107582382
3-bromo-5-chloro-2-(difluoromethoxy)-N-(2,5-dimethylcyclohexyl)aniline
CID 64761216
N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
CID 64762432

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one (CID 64761058) is 5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one is CC1CCC(C)C(Nc2cc3[nH]c(=O)[nH]c3cc2Br)C1.
What is the InChIKey of 5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KIGRBFSIOBXOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-8-3-4-9(2)11(5-8)17-12-7-14-13(6-10(12)16)18-15(20)19-14/h6-9,11,17H,3-5H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 338.25 g/mol, XLogP of 3.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 64761058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).