N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide

C26H21N3O4 — CID 54734754

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide
SMILESCC(c1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C26H21N3O4/c1-15(23-24(30)18-9-2-5-12-21(18)33-26(23)32)16-7-6-8-17(13-16)25(31)27-14-22-28-19-10-3-4-11-20(19)29-22/h2-13,15,30H,14H2,1H3,(H,27,31)(H,28,29)
InChIKeyFIQXISKEKKABEK-UHFFFAOYSA-N
MW439.47 g/mol
LogP4.46
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide

N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide (PubChem CID 54734754) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide
PubChem CID54734754
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide
SMILESCC(c1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C26H21N3O4/c1-15(23-24(30)18-9-2-5-12-21(18)33-26(23)32)16-7-6-8-17(13-16)25(31)27-14-22-28-19-10-3-4-11-20(19)29-22/h2-13,15,30H,14H2,1H3,(H,27,31)(H,28,29)
InChIKeyFIQXISKEKKABEK-UHFFFAOYSA-N
XLogP4.46
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide 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

N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide
CID 21008809
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
CID 117088058
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide
CID 171676060
N-(1H-benzimidazol-2-ylmethyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 21008764
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
3-[1-(4-hydroxy-2-oxochromen-3-yl)propyl]-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]benzamide
CID 54704336

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide (CID 54734754) is N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide is CC(c1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide?
The InChIKey is FIQXISKEKKABEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c1-15(23-24(30)18-9-2-5-12-21(18)33-26(23)32)16-7-6-8-17(13-16)25(31)27-14-22-28-19-10-3-4-11-20(19)29-22/h2-13,15,30H,14H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide?
N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide has a molecular weight of 439.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxochromen-3-yl)ethyl]benzamide is sourced from PubChem (CID 54734754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).