11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde

C19H21N3O — CID 19371515

💊View drug profile → alcaftadine
IUPAC11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde
SMILESCN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1
InChIInChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3
InChIKeyMWTBKTRZPHJQLH-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.78
Rot. Bonds1

About 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde

11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde (PubChem CID 19371515) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde.

Molecular Properties

Compound Name11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde
PubChem CID19371515
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde
SMILESCN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1
InChIInChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3
InChIKeyMWTBKTRZPHJQLH-UHFFFAOYSA-N
XLogP2.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Vapitadine
CID 9842252
Vapitadine Dihydrochloride
CID 9842251
1-Benzyl-1H-imidazole-5-carboxaldehyde
CID 2773239
1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde
CID 618233
Alcaftadine carboxylic acid
CID 19371526
3-(1-Phenylethyl)imidazole-4-carbaldehyde
CID 44576234
Spiro[5,6-dihydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;hydrochloride
CID 49861263
N,7-bis(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
CID 134807147
N-benzyl-7-(3-phenylpropyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
CID 134805870
[7-(2-Phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134806852
1-methyl-2-phenyl-1H-imidazole-4-carbaldehyde
CID 10750045
1-Benzylimidazole-4-carbaldehyde
CID 11095311

Frequently Asked Questions

What is the IUPAC name of 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde?
The IUPAC name of 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde (CID 19371515) is 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde.
What is the SMILES notation for 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde?
The canonical SMILES for 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde is CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1.
What is the InChIKey of 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde?
The InChIKey is MWTBKTRZPHJQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde?
11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde has a molecular weight of 307.40 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde is sourced from PubChem (CID 19371515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).