10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one

C18H17N3O — CID 54016559

IUPAC10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one
SMILESCc1[nH]cnc1C=C1CCc2c(C)c3ccccc3n2C1=O
InChIInChI=1S/C18H17N3O/c1-11-14-5-3-4-6-17(14)21-16(11)8-7-13(18(21)22)9-15-12(2)19-10-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyKWAADVNKLMTZDC-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.65
Rot. Bonds1

About 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one

10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one (PubChem CID 54016559) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one.

Molecular Properties

Compound Name10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one
PubChem CID54016559
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one
SMILESCc1[nH]cnc1C=C1CCc2c(C)c3ccccc3n2C1=O
InChIInChI=1S/C18H17N3O/c1-11-14-5-3-4-6-17(14)21-16(11)8-7-13(18(21)22)9-15-12(2)19-10-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyKWAADVNKLMTZDC-UHFFFAOYSA-N
XLogP3.65
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one
CID 67885622
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride
CID 19097320
(3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 56955044
3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
CID 19787125
2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one
CID 10446387
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 2099
2-[1-(1H-imidazol-5-yl)ethyl]-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
CID 19787131
(3E)-3-(1H-imidazol-2-ylmethylidene)-9-methyl-1,2-dihydrocarbazol-4-one
CID 23036580
7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
CID 15051935
10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
CID 70068921
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride
CID 70147204
10-ethyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one;hydrochloride
CID 19097302

Frequently Asked Questions

What is the IUPAC name of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one?
The IUPAC name of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one (CID 54016559) is 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one.
What is the SMILES notation for 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one?
The canonical SMILES for 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one is Cc1[nH]cnc1C=C1CCc2c(C)c3ccccc3n2C1=O.
What is the InChIKey of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one?
The InChIKey is KWAADVNKLMTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-14-5-3-4-6-17(14)21-16(11)8-7-13(18(21)22)9-15-12(2)19-10-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one?
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one has a molecular weight of 291.35 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one is sourced from PubChem (CID 54016559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).