3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one

C18H19N3O — CID 130220827

IUPAC3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCc1cn(CC2CCc3[nH]c4ccccc4c3C2=O)c(C)n1
InChIInChI=1S/C18H19N3O/c1-11-9-21(12(2)19-11)10-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20-16/h3-6,9,13,20H,7-8,10H2,1-2H3
InChIKeyKRKIMOXAPIJVHA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.43
Rot. Bonds2

About 3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one

3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one (PubChem CID 130220827) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one.

Molecular Properties

Compound Name3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one
PubChem CID130220827
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCc1cn(CC2CCc3[nH]c4ccccc4c3C2=O)c(C)n1
InChIInChI=1S/C18H19N3O/c1-11-9-21(12(2)19-11)10-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20-16/h3-6,9,13,20H,7-8,10H2,1-2H3
InChIKeyKRKIMOXAPIJVHA-UHFFFAOYSA-N
XLogP3.43
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one?
The IUPAC name of 3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one (CID 130220827) is 3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one.
What is the SMILES notation for 3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one?
The canonical SMILES for 3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one is Cc1cn(CC2CCc3[nH]c4ccccc4c3C2=O)c(C)n1.
What is the InChIKey of 3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one?
The InChIKey is KRKIMOXAPIJVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-11-9-21(12(2)19-11)10-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20-16/h3-6,9,13,20H,7-8,10H2,1-2H3.
What are the key properties of 3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one?
3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one is sourced from PubChem (CID 130220827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).