N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide

C20H15N3O3 — CID 110745871

IUPACN-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCc1[nH]cnc1-c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C20H15N3O3/c1-12-18(22-11-21-12)14-6-4-7-15(9-14)23-19(24)16-10-13-5-2-3-8-17(13)26-20(16)25/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyBMUYYSUXRPKXBA-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.74
Rot. Bonds3

About N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide

N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 110745871) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID110745871
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCc1[nH]cnc1-c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C20H15N3O3/c1-12-18(22-11-21-12)14-6-4-7-15(9-14)23-19(24)16-10-13-5-2-3-8-17(13)26-20(16)25/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyBMUYYSUXRPKXBA-UHFFFAOYSA-N
XLogP3.74
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide 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-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735763
N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
CID 7593527
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide
CID 110743882
N-(3-ethynylphenyl)-2-oxochromene-3-carboxamide
CID 2732913
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 136516823
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide (CID 110745871) is N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide is Cc1[nH]cnc1-c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is BMUYYSUXRPKXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-12-18(22-11-21-12)14-6-4-7-15(9-14)23-19(24)16-10-13-5-2-3-8-17(13)26-20(16)25/h2-11H,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide?
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110745871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).