5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one

C16H24BrN3O — CID 43741294

IUPAC5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)CC(CC(C)C)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C16H24BrN3O/c1-9(2)5-11(6-10(3)4)18-13-8-15-14(7-12(13)17)19-16(21)20-15/h7-11,18H,5-6H2,1-4H3,(H2,19,20,21)
InChIKeyMOOVHNUSPQNBGK-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.49
Rot. Bonds6

About 5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43741294) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID43741294
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)CC(CC(C)C)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C16H24BrN3O/c1-9(2)5-11(6-10(3)4)18-13-8-15-14(7-12(13)17)19-16(21)20-15/h7-11,18H,5-6H2,1-4H3,(H2,19,20,21)
InChIKeyMOOVHNUSPQNBGK-UHFFFAOYSA-N
XLogP4.49
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one (CID 43741294) is 5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one is CC(C)CC(CC(C)C)Nc1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MOOVHNUSPQNBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-9(2)5-11(6-10(3)4)18-13-8-15-14(7-12(13)17)19-16(21)20-15/h7-11,18H,5-6H2,1-4H3,(H2,19,20,21).
What are the key properties of 5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 354.29 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43741294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).