(2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid

C25H20N2O2 — CID 15704233

IUPAC(2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)/C(=C\Cn1cnc3ccccc31)c1ccccc1CC2
InChIInChI=1S/C25H20N2O2/c28-25(29)19-12-11-18-10-9-17-5-1-2-6-20(17)21(22(18)15-19)13-14-27-16-26-23-7-3-4-8-24(23)27/h1-8,11-13,15-16H,9-10,14H2,(H,28,29)/b21-13-
InChIKeyBQBMIBIEYXFSOR-BKUYFWCQSA-N
MW380.45 g/mol
LogP4.97
Rot. Bonds3

About (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid

(2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid (PubChem CID 15704233) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid.

Molecular Properties

Compound Name(2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid
PubChem CID15704233
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name(2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)/C(=C\Cn1cnc3ccccc31)c1ccccc1CC2
InChIInChI=1S/C25H20N2O2/c28-25(29)19-12-11-18-10-9-17-5-1-2-6-20(17)21(22(18)15-19)13-14-27-16-26-23-7-3-4-8-24(23)27/h1-8,11-13,15-16H,9-10,14H2,(H,28,29)/b21-13-
InChIKeyBQBMIBIEYXFSOR-BKUYFWCQSA-N
XLogP4.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

Analyze (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[2-(benzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 54232627
11-[2-(benzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzothiepine-2-carboxylic acid
CID 57064947
(2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid
CID 15704236
(11E)-11-[2-(benzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
CID 19088557
(11E)-11-[2-(5-methoxycarbonylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 19088548
(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-3-carboxylic acid
CID 10024547
(11E)-11-[2-[6-(phenoxymethyl)benzimidazol-1-yl]ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 67757304
(11E)-11-[2-(5-methylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
CID 19088622
11-[2-(4,7-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 54079904
(11E)-11-[2-(5-methoxycarbonylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
CID 19088547
methyl (11E)-11-[2-(5-chlorobenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
CID 10048360
(11E)-11-(2-pyrrolo[2,3-b]pyridin-1-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 19088602

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid?
The IUPAC name of (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid (CID 15704233) is (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid.
What is the SMILES notation for (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid?
The canonical SMILES for (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid is O=C(O)c1ccc2c(c1)/C(=C\Cn1cnc3ccccc31)c1ccccc1CC2.
What is the InChIKey of (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid?
The InChIKey is BQBMIBIEYXFSOR-BKUYFWCQSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-25(29)19-12-11-18-10-9-17-5-1-2-6-20(17)21(22(18)15-19)13-14-27-16-26-23-7-3-4-8-24(23)27/h1-8,11-13,15-16H,9-10,14H2,(H,28,29)/b21-13-.
What are the key properties of (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid?
(2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid has a molecular weight of 380.45 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(benzimidazol-1-yl)ethylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid is sourced from PubChem (CID 15704233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).