1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride

C18H20ClN3O — CID 167437585

IUPAC1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride
SMILESCc1nccn1CC1(C)CCC(=O)c2c1[nH]c1ccccc21.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-18(2)8-7-15(22)16-13-5-3-4-6-14(13)20-17(16)18;/h3-6,9-10,20H,7-8,11H2,1-2H3;1H
InChIKeyAMWNTMPTQXUSGF-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.03
Rot. Bonds2

About 1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride

1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride (PubChem CID 167437585) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride
PubChem CID167437585
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride
SMILESCc1nccn1CC1(C)CCC(=O)c2c1[nH]c1ccccc21.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-18(2)8-7-15(22)16-13-5-3-4-6-14(13)20-17(16)18;/h3-6,9-10,20H,7-8,11H2,1-2H3;1H
InChIKeyAMWNTMPTQXUSGF-UHFFFAOYSA-N
XLogP4.03
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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bis(9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one);hydrochloride
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CID 71751335
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(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-[2-(2-methylimidazol-1-yl)ethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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2-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride?
The IUPAC name of 1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride (CID 167437585) is 1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride.
What is the SMILES notation for 1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride?
The canonical SMILES for 1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride is Cc1nccn1CC1(C)CCC(=O)c2c1[nH]c1ccccc21.Cl.
What is the InChIKey of 1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride?
The InChIKey is AMWNTMPTQXUSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-18(2)8-7-15(22)16-13-5-3-4-6-14(13)20-17(16)18;/h3-6,9-10,20H,7-8,11H2,1-2H3;1H.
What are the key properties of 1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride?
1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methylimidazol-1-yl)methyl]-3,9-dihydro-2H-carbazol-4-one;hydrochloride is sourced from PubChem (CID 167437585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).