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

C21H19N3O3 — CID 134130712

IUPACN-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide
SMILESCOc1ccc(-c2cnc(CNC(=O)C3=Cc4ccccc4OC3)[nH]2)cc1
InChIInChI=1S/C21H19N3O3/c1-26-17-8-6-14(7-9-17)18-11-22-20(24-18)12-23-21(25)16-10-15-4-2-3-5-19(15)27-13-16/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyPSPXFDPQZZDHAA-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.18
Rot. Bonds5

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

N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide (PubChem CID 134130712) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide
PubChem CID134130712
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide
SMILESCOc1ccc(-c2cnc(CNC(=O)C3=Cc4ccccc4OC3)[nH]2)cc1
InChIInChI=1S/C21H19N3O3/c1-26-17-8-6-14(7-9-17)18-11-22-20(24-18)12-23-21(25)16-10-15-4-2-3-5-19(15)27-13-16/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyPSPXFDPQZZDHAA-UHFFFAOYSA-N
XLogP3.18
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-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

5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide
CID 118189551
2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate
CID 155908682
(R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565738
(R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565739
(R)-2-amino-2-(4-(4-(octyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44591265
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-(3-methoxyphenyl)-2-phenyl-1H-imidazole
CID 18673160
Kallikrein 5-IN-2
CID 138115400
N-[2-({2-Hydroxy-3-[4-(1H-imidazol-2-yl)phenoxy]propyl}amino)ethyl]-N'-phenylurea
CID 13621723
N-Butyl-N'-[2-({2-hydroxy-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propyl}amino)ethyl]urea
CID 13621725
12-Benzyl-4-(2-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11047311

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide (CID 134130712) is N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide is COc1ccc(-c2cnc(CNC(=O)C3=Cc4ccccc4OC3)[nH]2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide?
The InChIKey is PSPXFDPQZZDHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-17-8-6-14(7-9-17)18-11-22-20(24-18)12-23-21(25)16-10-15-4-2-3-5-19(15)27-13-16/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide?
N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 134130712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).