N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide

C20H19N3O2 — CID 47036571

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCOc2ccccc21)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C20H19N3O2/c24-20(22-18-9-12-25-19-4-2-1-3-17(18)19)16-7-5-15(6-8-16)13-23-11-10-21-14-23/h1-8,10-11,14,18H,9,12-13H2,(H,22,24)
InChIKeyANPHJCAQARQLDT-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.18
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 47036571) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID47036571
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCOc2ccccc21)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C20H19N3O2/c24-20(22-18-9-12-25-19-4-2-1-3-17(18)19)16-7-5-15(6-8-16)13-23-11-10-21-14-23/h1-8,10-11,14,18H,9,12-13H2,(H,22,24)
InChIKeyANPHJCAQARQLDT-UHFFFAOYSA-N
XLogP3.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)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-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94018271
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156417
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156418
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 31971686
N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide
CID 47035719
4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 47014206
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(imidazol-1-ylmethyl)benzamide
CID 122157429
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 95266877
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 47007794

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide (CID 47036571) is N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide is O=C(NC1CCOc2ccccc21)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is ANPHJCAQARQLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(22-18-9-12-25-19-4-2-1-3-17(18)19)16-7-5-15(6-8-16)13-23-11-10-21-14-23/h1-8,10-11,14,18H,9,12-13H2,(H,22,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 47036571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).