5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one

C16H14BrN3O2 — CID 73362843

IUPAC5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one
SMILESCCOc1ccc(Br)cc1CNc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C16H14BrN3O2/c1-2-22-15-6-3-11(17)7-10(15)9-18-12-4-5-13-14(8-12)20-16(21)19-13/h3-8,18H,2,9H2,1H3
InChIKeyGHXUDVBMKJQCRM-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.83
Rot. Bonds5

About 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one

5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one (PubChem CID 73362843) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one
PubChem CID73362843
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one
SMILESCCOc1ccc(Br)cc1CNc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C16H14BrN3O2/c1-2-22-15-6-3-11(17)7-10(15)9-18-12-4-5-13-14(8-12)20-16(21)19-13/h3-8,18H,2,9H2,1H3
InChIKeyGHXUDVBMKJQCRM-UHFFFAOYSA-N
XLogP2.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
CID 73362842
5-[(5-bromo-2-ethoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 6501967
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121511
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
N-[(5-bromo-2-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 15943327
[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 115744065
N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
CID 43765740
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
CID 126123701
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-4-ethoxyaniline
CID 65025250
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126118057

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one?
The IUPAC name of 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one (CID 73362843) is 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one.
What is the SMILES notation for 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one?
The canonical SMILES for 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one is CCOc1ccc(Br)cc1CNc1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one?
The InChIKey is GHXUDVBMKJQCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-2-22-15-6-3-11(17)7-10(15)9-18-12-4-5-13-14(8-12)20-16(21)19-13/h3-8,18H,2,9H2,1H3.
What are the key properties of 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one?
5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one has a molecular weight of 360.21 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one is sourced from PubChem (CID 73362843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).