5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

C13H10Br2N2O2 — CID 55068369

IUPAC5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C(Br)c2cc3[nH]c(=O)[nH]c3cc2Br)o1
InChIInChI=1S/C13H10Br2N2O2/c1-6-2-3-11(19-6)12(15)7-4-9-10(5-8(7)14)17-13(18)16-9/h2-5,12H,1H3,(H2,16,17,18)
InChIKeyYNHWFUBQIXTIFL-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.00
Rot. Bonds2

About 5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 55068369) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID55068369
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C(Br)c2cc3[nH]c(=O)[nH]c3cc2Br)o1
InChIInChI=1S/C13H10Br2N2O2/c1-6-2-3-11(19-6)12(15)7-4-9-10(5-8(7)14)17-13(18)16-9/h2-5,12H,1H3,(H2,16,17,18)
InChIKeyYNHWFUBQIXTIFL-UHFFFAOYSA-N
XLogP4.00
TPSA61.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(5-Methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 57833874
3-[5-(2-Oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-yl]propanal
CID 57834030
5-(5-Propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 126610112
Ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 144951341
5-[Amino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43384341
5-[Amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43384345
5-(5-Methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 43462964
5-(5-Bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 43462976
5-[Methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483508
5-[(5-Bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483517
5-[(5-Bromofuran-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490641
5-[(5-Bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496013

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 55068369) is 5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(C(Br)c2cc3[nH]c(=O)[nH]c3cc2Br)o1.
What is the InChIKey of 5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YNHWFUBQIXTIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c1-6-2-3-11(19-6)12(15)7-4-9-10(5-8(7)14)17-13(18)16-9/h2-5,12H,1H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 386.04 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[bromo-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 55068369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).