N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide

C20H20FN3O3 — CID 91831716

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESO=C(COCc1nc2ccc(F)cc2[nH]1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C20H20FN3O3/c21-15-4-5-16-17(9-15)24-19(23-16)11-26-12-20(25)22-10-13-3-6-18-14(8-13)2-1-7-27-18/h3-6,8-9H,1-2,7,10-12H2,(H,22,25)(H,23,24)
InChIKeyYCDRMIKRJRDKRD-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.86
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 91831716) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID91831716
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESO=C(COCc1nc2ccc(F)cc2[nH]1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C20H20FN3O3/c21-15-4-5-16-17(9-15)24-19(23-16)11-26-12-20(25)22-10-13-3-6-18-14(8-13)2-1-7-27-18/h3-6,8-9H,1-2,7,10-12H2,(H,22,25)(H,23,24)
InChIKeyYCDRMIKRJRDKRD-UHFFFAOYSA-N
XLogP2.86
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide 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-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 110784257
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
CID 131895763
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 91775341
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid
CID 91796999
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 118793968
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide
CID 131934776
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125175720
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone
CID 118774627
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 110784245

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide (CID 91831716) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide is O=C(COCc1nc2ccc(F)cc2[nH]1)NCc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is YCDRMIKRJRDKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-4-5-16-17(9-15)24-19(23-16)11-26-12-20(25)22-10-13-3-6-18-14(8-13)2-1-7-27-18/h3-6,8-9H,1-2,7,10-12H2,(H,22,25)(H,23,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 91831716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).