(2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide

C22H22N4 — CID 145312989

IUPAC(2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C)=C/C(=C\N)N1/C=C\c2ccccc2C(=C)c2ccccc21
InChIInChI=1S/C22H22N4/c1-15(22(24)25)13-18(14-23)26-12-11-17-7-3-4-8-19(17)16(2)20-9-5-6-10-21(20)26/h3-14H,2,23H2,1H3,(H3,24,25)/b12-11-,15-13+,18-14+
InChIKeyDOSJZTCFENZMHL-FRBOZTJPSA-N
MW342.45 g/mol
LogP4.22
Rot. Bonds3

About (2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide

(2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide (PubChem CID 145312989) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is (2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide
PubChem CID145312989
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name(2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C)=C/C(=C\N)N1/C=C\c2ccccc2C(=C)c2ccccc21
InChIInChI=1S/C22H22N4/c1-15(22(24)25)13-18(14-23)26-12-11-17-7-3-4-8-19(17)16(2)20-9-5-6-10-21(20)26/h3-14H,2,23H2,1H3,(H3,24,25)/b12-11-,15-13+,18-14+
InChIKeyDOSJZTCFENZMHL-FRBOZTJPSA-N
XLogP4.22
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine
CID 145299490
10-hydroxybenzo[d][1]benzazepine-5-carboxamide
CID 54226208
1-benzo[d][1]benzazepin-5-yl-2-chloroethanone
CID 70241947
bis(ethanediimidamide);toluene
CID 70390031
5-methylbenzo[d][1]benzazepine
CID 67174397
N-[amino(phenyl)methylidene]-5-[(2Z,5Z,7Z)-9,10-dimethylidene-4-azabicyclo[9.4.0]pentadeca-1(15),2,5,7,11,13-hexaen-4-yl]pyridine-3-carboximidamide
CID 145299508
3-benzazepine-3-carboxamide
CID 69175294
1-methylidene-2-pentan-2-ylisoquinoline
CID 166943065
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 10107850
N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene
CID 145299539
9H-fluorene-3-carboximidamide
CID 142615389

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide?
The IUPAC name of (2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide (CID 145312989) is (2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide.
What is the SMILES notation for (2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide?
The canonical SMILES for (2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide is [H]/N=C(N)/C(C)=C/C(=C\N)N1/C=C\c2ccccc2C(=C)c2ccccc21.
What is the InChIKey of (2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide?
The InChIKey is DOSJZTCFENZMHL-FRBOZTJPSA-N. The full InChI is InChI=1S/C22H22N4/c1-15(22(24)25)13-18(14-23)26-12-11-17-7-3-4-8-19(17)16(2)20-9-5-6-10-21(20)26/h3-14H,2,23H2,1H3,(H3,24,25)/b12-11-,15-13+,18-14+.
What are the key properties of (2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide?
(2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide has a molecular weight of 342.45 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-amino-2-methyl-4-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]penta-2,4-dienimidamide is sourced from PubChem (CID 145312989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).