5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

C16H16BrN3O — CID 43751005

IUPAC5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCc1ccccc1Br)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16BrN3O/c1-10(18-9-12-4-2-3-5-13(12)17)11-6-7-14-15(8-11)20-16(21)19-14/h2-8,10,18H,9H2,1H3,(H2,19,20,21)
InChIKeyFQAGRSJKIWJCKY-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.47
Rot. Bonds4

About 5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43751005) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43751005
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCc1ccccc1Br)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16BrN3O/c1-10(18-9-12-4-2-3-5-13(12)17)11-6-7-14-15(8-11)20-16(21)19-14/h2-8,10,18H,9H2,1H3,(H2,19,20,21)
InChIKeyFQAGRSJKIWJCKY-UHFFFAOYSA-N
XLogP3.47
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 43751005) is 5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NCc1ccccc1Br)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FQAGRSJKIWJCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-10(18-9-12-4-2-3-5-13(12)17)11-6-7-14-15(8-11)20-16(21)19-14/h2-8,10,18H,9H2,1H3,(H2,19,20,21).
What are the key properties of 5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 346.23 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43751005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).