1-(benzimidazol-1-yl)-5-bromoisoquinoline

C16H10BrN3 — CID 106543714

IUPAC1-(benzimidazol-1-yl)-5-bromoisoquinoline
SMILESBrc1cccc2c(-n3cnc4ccccc43)nccc12
InChIInChI=1S/C16H10BrN3/c17-13-5-3-4-12-11(13)8-9-18-16(12)20-10-19-14-6-1-2-7-15(14)20/h1-10H
InChIKeyHEPTWKRRSDHLEQ-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.34
Rot. Bonds1

About 1-(benzimidazol-1-yl)-5-bromoisoquinoline

1-(benzimidazol-1-yl)-5-bromoisoquinoline (PubChem CID 106543714) has the molecular formula C16H10BrN3 and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-5-bromoisoquinoline.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-5-bromoisoquinoline
PubChem CID106543714
Molecular FormulaC16H10BrN3
Molecular Weight324.18 g/mol
Exact Mass323.01
IUPAC Name1-(benzimidazol-1-yl)-5-bromoisoquinoline
SMILESBrc1cccc2c(-n3cnc4ccccc43)nccc12
InChIInChI=1S/C16H10BrN3/c17-13-5-3-4-12-11(13)8-9-18-16(12)20-10-19-14-6-1-2-7-15(14)20/h1-10H
InChIKeyHEPTWKRRSDHLEQ-UHFFFAOYSA-N
XLogP4.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromoisoquinolin-1-yl)-1,2,4-triazol-3-amine
CID 106541716
1-(benzimidazol-1-yl)-7-methoxyisoquinoline
CID 106543716
1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole
CID 114837450
4-(benzimidazol-1-yl)pyrazolo[1,5-a]pyrazine
CID 104734400
1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736
[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride
CID 50988410
1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline
CID 171774104
5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline
CID 106543709
4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine
CID 17417188
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883369
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-5-bromoisoquinoline?
The IUPAC name of 1-(benzimidazol-1-yl)-5-bromoisoquinoline (CID 106543714) is 1-(benzimidazol-1-yl)-5-bromoisoquinoline.
What is the SMILES notation for 1-(benzimidazol-1-yl)-5-bromoisoquinoline?
The canonical SMILES for 1-(benzimidazol-1-yl)-5-bromoisoquinoline is Brc1cccc2c(-n3cnc4ccccc43)nccc12.
What is the InChIKey of 1-(benzimidazol-1-yl)-5-bromoisoquinoline?
The InChIKey is HEPTWKRRSDHLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3/c17-13-5-3-4-12-11(13)8-9-18-16(12)20-10-19-14-6-1-2-7-15(14)20/h1-10H.
What are the key properties of 1-(benzimidazol-1-yl)-5-bromoisoquinoline?
1-(benzimidazol-1-yl)-5-bromoisoquinoline has a molecular weight of 324.18 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-5-bromoisoquinoline is sourced from PubChem (CID 106543714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).