5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C13H12BrN3O2 — CID 43483517

IUPAC5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1
InChIInChI=1S/C13H12BrN3O2/c1-15-12(10-4-5-11(14)19-10)7-2-3-8-9(6-7)17-13(18)16-8/h2-6,12,15H,1H3,(H2,16,17,18)
InChIKeyGCWFSHCLBLJPCV-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.52
Rot. Bonds3

About 5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43483517) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43483517
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1
InChIInChI=1S/C13H12BrN3O2/c1-15-12(10-4-5-11(14)19-10)7-2-3-8-9(6-7)17-13(18)16-8/h2-6,12,15H,1H3,(H2,16,17,18)
InChIKeyGCWFSHCLBLJPCV-UHFFFAOYSA-N
XLogP2.52
TPSA73.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-({[5-(4-Bromophenyl)furan-2-YL]methyl}amino)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 16014756
5-{[(5-phenyl-2-furyl)methyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 6485978
1-(5-bromofuran-2-carbonyl)-N-methylindoline-2-carboxamide
CID 18587986
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 122144144
1-[1-(5-Methylfuran-2-yl)ethyl]-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 55696121
1-[(5-Bromofuran-2-yl)methyl]-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylurea
CID 78875044
N-[(5-bromofuran-2-yl)methyl]-6-fluoro-N-methyl-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78905310
6-fluoro-5-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazole-2-thione
CID 103592160
3-[1-(5-Bromofuran-2-yl)ethylamino]-4-fluorobenzamide
CID 104652453
5-[1-(5-Bromofuran-2-yl)ethylamino]-2-fluorobenzamide
CID 104652460
N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-3H-benzimidazole-5-carboxamide
CID 146090432
5-{[(Furan-2-ylmethyl)-amino]-methyl}-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one
CID 6473425

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43483517) is 5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1.
What is the InChIKey of 5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GCWFSHCLBLJPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-15-12(10-4-5-11(14)19-10)7-2-3-8-9(6-7)17-13(18)16-8/h2-6,12,15H,1H3,(H2,16,17,18).
What are the key properties of 5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 322.16 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromofuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43483517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).