3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one

C17H17N3O — CID 22400310

IUPAC3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCn1c2c(c3ccccc31)CC(Cc1ncc[nH]1)CC2=O
InChIInChI=1S/C17H17N3O/c1-20-14-5-3-2-4-12(14)13-8-11(9-15(21)17(13)20)10-16-18-6-7-19-16/h2-7,11H,8-10H2,1H3,(H,18,19)
InChIKeyHSFMQWDSHOKQPI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.89
Rot. Bonds2

About 3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one

3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 22400310) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID22400310
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCn1c2c(c3ccccc31)CC(Cc1ncc[nH]1)CC2=O
InChIInChI=1S/C17H17N3O/c1-20-14-5-3-2-4-12(14)13-8-11(9-15(21)17(13)20)10-16-18-6-7-19-16/h2-7,11H,8-10H2,1H3,(H,18,19)
InChIKeyHSFMQWDSHOKQPI-UHFFFAOYSA-N
XLogP2.89
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one
CID 71148065
2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 70387531
16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one
CID 72724645
(3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one
CID 23036580
tert-butyl 3-(1H-imidazol-2-ylmethyl)azetidine-1-carboxylate
CID 175251955
(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
CID 177465545
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
(1,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 142650325
(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 140999060
[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 122153352
1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one
CID 67327221
3-bromo-2,10-dimethyl-3,4-dihydroazepino[3,4-b]indole-1,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one (CID 22400310) is 3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one is Cn1c2c(c3ccccc31)CC(Cc1ncc[nH]1)CC2=O.
What is the InChIKey of 3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is HSFMQWDSHOKQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20-14-5-3-2-4-12(14)13-8-11(9-15(21)17(13)20)10-16-18-6-7-19-16/h2-7,11H,8-10H2,1H3,(H,18,19).
What are the key properties of 3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one?
3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 279.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 22400310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).