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

C9H10BrN3O — CID 43228611

IUPAC5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCCNc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C9H10BrN3O/c1-2-11-6-4-8-7(3-5(6)10)12-9(14)13-8/h3-4,11H,2H2,1H3,(H2,12,13,14)
InChIKeyQDAPCTZBBLWCPH-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.05
Rot. Bonds2

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

5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43228611) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID43228611
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCCNc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C9H10BrN3O/c1-2-11-6-4-8-7(3-5(6)10)12-9(14)13-8/h3-4,11H,2H2,1H3,(H2,12,13,14)
InChIKeyQDAPCTZBBLWCPH-UHFFFAOYSA-N
XLogP2.05
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one (CID 43228611) is 5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one is CCNc1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QDAPCTZBBLWCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-2-11-6-4-8-7(3-5(6)10)12-9(14)13-8/h3-4,11H,2H2,1H3,(H2,12,13,14).
What are the key properties of 5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(ethylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43228611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).