1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one

C19H14BrN3O — CID 165161396

IUPAC1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one
SMILESO=c1n(Cc2ccccc2)c2ccccc2n1-c1cccc(Br)n1
InChIInChI=1S/C19H14BrN3O/c20-17-11-6-12-18(21-17)23-16-10-5-4-9-15(16)22(19(23)24)13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyBLKZIHNMBMTHEG-UHFFFAOYSA-N
MW380.25 g/mol
LogP4.00
Rot. Bonds3

About 1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one

1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one (PubChem CID 165161396) has the molecular formula C19H14BrN3O and a molecular weight of 380.25 g/mol. Its IUPAC name is 1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one
PubChem CID165161396
Molecular FormulaC19H14BrN3O
Molecular Weight380.25 g/mol
Exact Mass379.03
IUPAC Name1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one
SMILESO=c1n(Cc2ccccc2)c2ccccc2n1-c1cccc(Br)n1
InChIInChI=1S/C19H14BrN3O/c20-17-11-6-12-18(21-17)23-16-10-5-4-9-15(16)22(19(23)24)13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyBLKZIHNMBMTHEG-UHFFFAOYSA-N
XLogP4.00
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
CID 44631621
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
1-[[4-(bromomethyl)phenyl]methyl]-3-methylbenzimidazol-2-one
CID 142914206
(1-benzylindol-2-yl)-triethylsilane
CID 90095967
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
(1S,7R,8S,9R)-4-benzyl-8,9-dibromo-2,4,6-triazatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98152927
5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one
CID 164677881
1-benzyl-6-bromoquinoxalin-2-one
CID 90152761
1-(6-bromo-2-pyridinyl)triazole-4-carboxylic acid
CID 21290364

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one?
The IUPAC name of 1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one (CID 165161396) is 1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one.
What is the SMILES notation for 1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one?
The canonical SMILES for 1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one is O=c1n(Cc2ccccc2)c2ccccc2n1-c1cccc(Br)n1.
What is the InChIKey of 1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one?
The InChIKey is BLKZIHNMBMTHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O/c20-17-11-6-12-18(21-17)23-16-10-5-4-9-15(16)22(19(23)24)13-14-7-2-1-3-8-14/h1-12H,13H2.
What are the key properties of 1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one?
1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one has a molecular weight of 380.25 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(6-bromo-2-pyridinyl)benzimidazol-2-one is sourced from PubChem (CID 165161396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).