3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one

C20H21N3O — CID 67819773

IUPAC3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one
SMILESC=CCc1c2c(n3ccccc13)C(=O)C(Cc1nc[nH]c1C)CC2
InChIInChI=1S/C20H21N3O/c1-3-6-15-16-9-8-14(11-17-13(2)21-12-22-17)20(24)19(16)23-10-5-4-7-18(15)23/h3-5,7,10,12,14H,1,6,8-9,11H2,2H3,(H,21,22)
InChIKeyBSCTZDPUBLQSQF-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.69
Rot. Bonds4

About 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one

3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one (PubChem CID 67819773) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one.

Molecular Properties

Compound Name3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one
PubChem CID67819773
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one
SMILESC=CCc1c2c(n3ccccc13)C(=O)C(Cc1nc[nH]c1C)CC2
InChIInChI=1S/C20H21N3O/c1-3-6-15-16-9-8-14(11-17-13(2)21-12-22-17)20(24)19(16)23-10-5-4-7-18(15)23/h3-5,7,10,12,14H,1,6,8-9,11H2,2H3,(H,21,22)
InChIKeyBSCTZDPUBLQSQF-UHFFFAOYSA-N
XLogP3.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one?
The IUPAC name of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one (CID 67819773) is 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one.
What is the SMILES notation for 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one?
The canonical SMILES for 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one is C=CCc1c2c(n3ccccc13)C(=O)C(Cc1nc[nH]c1C)CC2.
What is the InChIKey of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one?
The InChIKey is BSCTZDPUBLQSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-6-15-16-9-8-14(11-17-13(2)21-12-22-17)20(24)19(16)23-10-5-4-7-18(15)23/h3-5,7,10,12,14H,1,6,8-9,11H2,2H3,(H,21,22).
What are the key properties of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one?
3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one is sourced from PubChem (CID 67819773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).