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

C14H14BrN3O2 — CID 62373407

IUPAC5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(c1ccco1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-2-16-13(12-4-3-5-20-12)8-6-10-11(7-9(8)15)18-14(19)17-10/h3-7,13,16H,2H2,1H3,(H2,17,18,19)
InChIKeyYHWOVIODYDCGQD-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.91
Rot. Bonds4

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

5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62373407) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62373407
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(c1ccco1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-2-16-13(12-4-3-5-20-12)8-6-10-11(7-9(8)15)18-14(19)17-10/h3-7,13,16H,2H2,1H3,(H2,17,18,19)
InChIKeyYHWOVIODYDCGQD-UHFFFAOYSA-N
XLogP2.91
TPSA73.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 106645508
6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490490
N-[(3,6-dimethylpyridazin-4-yl)-(furan-2-yl)methyl]ethanamine
CID 105146876
N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489925
N-[(2-bromo-3,4-difluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 107539325
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
N-[(5-chloro-2-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 82883059
N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017
5-bromo-6-(1-hydroxy-2-methylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 62374571
N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 54920080
5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107960973
N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43492710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 62373407) is 5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is CCNC(c1ccco1)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YHWOVIODYDCGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-2-16-13(12-4-3-5-20-12)8-6-10-11(7-9(8)15)18-14(19)17-10/h3-7,13,16H,2H2,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 336.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62373407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).