5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline

C14H13N3 — CID 145019270

IUPAC5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline
SMILESCc1ncc(-c2ccc(C)c3ccncc23)[nH]1
InChIInChI=1S/C14H13N3/c1-9-3-4-12(14-8-16-10(2)17-14)13-7-15-6-5-11(9)13/h3-8H,1-2H3,(H,16,17)
InChIKeyOKXQIWKJODWEBS-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.24
Rot. Bonds1

About 5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline

5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline (PubChem CID 145019270) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline.

Molecular Properties

Compound Name5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline
PubChem CID145019270
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline
SMILESCc1ncc(-c2ccc(C)c3ccncc23)[nH]1
InChIInChI=1S/C14H13N3/c1-9-3-4-12(14-8-16-10(2)17-14)13-7-15-6-5-11(9)13/h3-8H,1-2H3,(H,16,17)
InChIKeyOKXQIWKJODWEBS-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen
CID 144594165
2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane
CID 144633691
5-fluoro-8-methylisoquinoline
CID 125425947
CID 171812970
CID 171812970
8-methyl-5-quinolin-8-ylisoquinoline
CID 71214016
ethane;7-methyl-4-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazole;molecular hydrogen;propane
CID 144594113
6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione
CID 106518852
5-(3-bromo-4-methylphenyl)-2-methyl-1H-imidazole
CID 58170463
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 105442686
4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)pyridine
CID 86217259
1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol
CID 122472489

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline?
The IUPAC name of 5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline (CID 145019270) is 5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline.
What is the SMILES notation for 5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline?
The canonical SMILES for 5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline is Cc1ncc(-c2ccc(C)c3ccncc23)[nH]1.
What is the InChIKey of 5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline?
The InChIKey is OKXQIWKJODWEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-9-3-4-12(14-8-16-10(2)17-14)13-7-15-6-5-11(9)13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline?
5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline has a molecular weight of 223.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline is sourced from PubChem (CID 145019270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).