1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one

C15H14BrN3O — CID 116621225

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2ccc(Br)cn2)c2ccccc21
InChIInChI=1S/C15H14BrN3O/c1-2-18-13-5-3-4-6-14(13)19(15(18)20)10-12-8-7-11(16)9-17-12/h3-9H,2,10H2,1H3
InChIKeyRCOQTGZKBHQPIG-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.03
Rot. Bonds3

About 1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one

1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one (PubChem CID 116621225) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one
PubChem CID116621225
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2ccc(Br)cn2)c2ccccc21
InChIInChI=1S/C15H14BrN3O/c1-2-18-13-5-3-4-6-14(13)19(15(18)20)10-12-8-7-11(16)9-17-12/h3-9H,2,10H2,1H3
InChIKeyRCOQTGZKBHQPIG-UHFFFAOYSA-N
XLogP3.03
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 113455683
1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115575620
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one
CID 103866266
3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
CID 104809272
1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one
CID 104809188
3-[(5-bromo-2-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104809320
1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
CID 116621288
1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one
CID 115576185
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115576479

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one (CID 116621225) is 1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one is CCn1c(=O)n(Cc2ccc(Br)cn2)c2ccccc21.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one?
The InChIKey is RCOQTGZKBHQPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-2-18-13-5-3-4-6-14(13)19(15(18)20)10-12-8-7-11(16)9-17-12/h3-9H,2,10H2,1H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one?
1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one has a molecular weight of 332.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one is sourced from PubChem (CID 116621225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).