1-(benzimidazol-1-yl)-7-methoxyisoquinoline

C17H13N3O — CID 106543716

IUPAC1-(benzimidazol-1-yl)-7-methoxyisoquinoline
SMILESCOc1ccc2ccnc(-n3cnc4ccccc43)c2c1
InChIInChI=1S/C17H13N3O/c1-21-13-7-6-12-8-9-18-17(14(12)10-13)20-11-19-15-4-2-3-5-16(15)20/h2-11H,1H3
InChIKeyAMZFIABKTLCLFO-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.58
Rot. Bonds2

About 1-(benzimidazol-1-yl)-7-methoxyisoquinoline

1-(benzimidazol-1-yl)-7-methoxyisoquinoline (PubChem CID 106543716) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-7-methoxyisoquinoline.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-7-methoxyisoquinoline
PubChem CID106543716
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name1-(benzimidazol-1-yl)-7-methoxyisoquinoline
SMILESCOc1ccc2ccnc(-n3cnc4ccccc43)c2c1
InChIInChI=1S/C17H13N3O/c1-21-13-7-6-12-8-9-18-17(14(12)10-13)20-11-19-15-4-2-3-5-16(15)20/h2-11H,1H3
InChIKeyAMZFIABKTLCLFO-UHFFFAOYSA-N
XLogP3.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
1-(5-methoxyindol-1-yl)isoquinoline
CID 162514100
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
6-methoxy-1-phenylbenzimidazole
CID 652633
7-methoxy-1-phenylisoquinoline
CID 86087026
1-(benzimidazol-1-yl)-5-bromoisoquinoline
CID 106543714
4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline
CID 110435786
1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736
4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine
CID 114053321
2-methoxybenzimidazolo[2,1-a]isoquinoline
CID 134847544
1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one
CID 163284683

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-7-methoxyisoquinoline?
The IUPAC name of 1-(benzimidazol-1-yl)-7-methoxyisoquinoline (CID 106543716) is 1-(benzimidazol-1-yl)-7-methoxyisoquinoline.
What is the SMILES notation for 1-(benzimidazol-1-yl)-7-methoxyisoquinoline?
The canonical SMILES for 1-(benzimidazol-1-yl)-7-methoxyisoquinoline is COc1ccc2ccnc(-n3cnc4ccccc43)c2c1.
What is the InChIKey of 1-(benzimidazol-1-yl)-7-methoxyisoquinoline?
The InChIKey is AMZFIABKTLCLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-21-13-7-6-12-8-9-18-17(14(12)10-13)20-11-19-15-4-2-3-5-16(15)20/h2-11H,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-7-methoxyisoquinoline?
1-(benzimidazol-1-yl)-7-methoxyisoquinoline has a molecular weight of 275.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-7-methoxyisoquinoline is sourced from PubChem (CID 106543716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).