2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide

C20H20FN3O4 — CID 131934776

IUPAC2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide
SMILESCOc1cccc2c1OCC(NC(=O)COCc1nc3ccc(F)cc3[nH]1)C2
InChIInChI=1S/C20H20FN3O4/c1-26-17-4-2-3-12-7-14(9-28-20(12)17)22-19(25)11-27-10-18-23-15-6-5-13(21)8-16(15)24-18/h2-6,8,14H,7,9-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyBALNMUBQVLLAQA-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.35
Rot. Bonds6

About 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide

2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide (PubChem CID 131934776) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide.

Molecular Properties

Compound Name2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide
PubChem CID131934776
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide
SMILESCOc1cccc2c1OCC(NC(=O)COCc1nc3ccc(F)cc3[nH]1)C2
InChIInChI=1S/C20H20FN3O4/c1-26-17-4-2-3-12-7-14(9-28-20(12)17)22-19(25)11-27-10-18-23-15-6-5-13(21)8-16(15)24-18/h2-6,8,14H,7,9-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyBALNMUBQVLLAQA-UHFFFAOYSA-N
XLogP2.35
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 31017822
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888
N-[2-(1H-benzimidazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 70767537
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137222532
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone
CID 118774627
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2,2,2-trifluoroethylamino)propanamide
CID 96539789
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(5-methyltetrazol-1-yl)propanamide
CID 131906368
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 131930153
3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid
CID 91796999
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96576705
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
CID 131895763

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide?
The IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide (CID 131934776) is 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide.
What is the SMILES notation for 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide?
The canonical SMILES for 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide is COc1cccc2c1OCC(NC(=O)COCc1nc3ccc(F)cc3[nH]1)C2.
What is the InChIKey of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide?
The InChIKey is BALNMUBQVLLAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-26-17-4-2-3-12-7-14(9-28-20(12)17)22-19(25)11-27-10-18-23-15-6-5-13(21)8-16(15)24-18/h2-6,8,14H,7,9-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide?
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide has a molecular weight of 385.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide is sourced from PubChem (CID 131934776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).