5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one

C15H20BrN3O — CID 65080019

IUPAC5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCC1CCCC(Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC1
InChIInChI=1S/C15H20BrN3O/c1-9-3-2-4-10(6-5-9)17-12-8-14-13(7-11(12)16)18-15(20)19-14/h7-10,17H,2-6H2,1H3,(H2,18,19,20)
InChIKeyRQSONZBUHZAAOB-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.00
Rot. Bonds2

About 5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 65080019) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID65080019
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCC1CCCC(Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC1
InChIInChI=1S/C15H20BrN3O/c1-9-3-2-4-10(6-5-9)17-12-8-14-13(7-11(12)16)18-15(20)19-14/h7-10,17H,2-6H2,1H3,(H2,18,19,20)
InChIKeyRQSONZBUHZAAOB-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-[(4-hydroxycyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 106594161
5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 43741303
5-bromo-6-[(2,5-dimethylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 64761058
N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
CID 65080810
N-(4-bromo-2,5-difluorophenyl)-4-methylcycloheptan-1-amine
CID 107609540
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
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778104
5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65087780
3-methyl-4-[(4-methylcycloheptyl)amino]phenol
CID 65080297
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one (CID 65080019) is 5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one is CC1CCCC(Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC1.
What is the InChIKey of 5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is RQSONZBUHZAAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-9-3-2-4-10(6-5-9)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-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 338.25 g/mol, XLogP of 4.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 65080019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).