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

C16H15BrClN3O2 — CID 73362842

IUPAC5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
SMILESCCOc1ccc(Br)cc1CNc1ccc2c(c1)=NC(=O)N=2.Cl
InChIInChI=1S/C16H14BrN3O2.ClH/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;1H
InChIKeySFFNNVMZMVBEDJ-UHFFFAOYSA-N
MW396.67 g/mol
LogP3.25
Rot. Bonds5

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

5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride (PubChem CID 73362842) has the molecular formula C16H15BrClN3O2 and a molecular weight of 396.67 g/mol. Its IUPAC name is 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
PubChem CID73362842
Molecular FormulaC16H15BrClN3O2
Molecular Weight396.67 g/mol
Exact Mass395.00
IUPAC Name5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
SMILESCCOc1ccc(Br)cc1CNc1ccc2c(c1)=NC(=O)N=2.Cl
InChIInChI=1S/C16H14BrN3O2.ClH/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;1H
InChIKeySFFNNVMZMVBEDJ-UHFFFAOYSA-N
XLogP3.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one
CID 73362843
5-[(5-bromo-2-ethoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 6501967
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121511
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;hydrochloride?
The IUPAC name of 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride (CID 73362842) is 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride is CCOc1ccc(Br)cc1CNc1ccc2c(c1)=NC(=O)N=2.Cl.
What is the InChIKey of 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride?
The InChIKey is SFFNNVMZMVBEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2.ClH/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;1H.
What are the key properties of 5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride?
5-[(5-bromo-2-ethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride has a molecular weight of 396.67 g/mol, XLogP of 3.25, 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;hydrochloride is sourced from PubChem (CID 73362842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).