N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C21H21N3O3 — CID 47038296

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCn1ccnc1COc1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C21H21N3O3/c1-24-12-11-22-20(24)14-27-16-8-6-15(7-9-16)21(25)23-18-10-13-26-19-5-3-2-4-17(18)19/h2-9,11-12,18H,10,13-14H2,1H3,(H,23,25)
InChIKeyHTTNVNDVSDHBJJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.25
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 47038296) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID47038296
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCn1ccnc1COc1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C21H21N3O3/c1-24-12-11-22-20(24)14-27-16-8-6-15(7-9-16)21(25)23-18-10-13-26-19-5-3-2-4-17(18)19/h2-9,11-12,18H,10,13-14H2,1H3,(H,23,25)
InChIKeyHTTNVNDVSDHBJJ-UHFFFAOYSA-N
XLogP3.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39969204
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
CID 47006594
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 39096701
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 41041775
4-[(1-methylimidazol-2-yl)methoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55874723
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 47036571
N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide
CID 47035719
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55791150
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115618961

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 47038296) is N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide is Cn1ccnc1COc1ccc(C(=O)NC2CCOc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is HTTNVNDVSDHBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24-12-11-22-20(24)14-27-16-8-6-15(7-9-16)21(25)23-18-10-13-26-19-5-3-2-4-17(18)19/h2-9,11-12,18H,10,13-14H2,1H3,(H,23,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 47038296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).