3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid

C16H20FN3O4 — CID 91796999

IUPAC3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)COCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H20FN3O4/c1-9(2)12(6-16(22)23)20-15(21)8-24-7-14-18-11-4-3-10(17)5-13(11)19-14/h3-5,9,12H,6-8H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyQUXITRKBFQBGGD-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.83
Rot. Bonds8

About 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid

3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid (PubChem CID 91796999) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid
PubChem CID91796999
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)COCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H20FN3O4/c1-9(2)12(6-16(22)23)20-15(21)8-24-7-14-18-11-4-3-10(17)5-13(11)19-14/h3-5,9,12H,6-8H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyQUXITRKBFQBGGD-UHFFFAOYSA-N
XLogP1.83
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
CID 134697140
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
CID 131895763
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
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)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
CID 91831716
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide
CID 131934776
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate
CID 68968543
3-(4-chlorophenyl)-4-(6-fluoro-1H-benzimidazol-2-yl)butanoic acid;hydrochloride
CID 45380883
(2S)-2-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119885407
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid (CID 91796999) is 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid is CC(C)C(CC(=O)O)NC(=O)COCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is QUXITRKBFQBGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-9(2)12(6-16(22)23)20-15(21)8-24-7-14-18-11-4-3-10(17)5-13(11)19-14/h3-5,9,12H,6-8H2,1-2H3,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid?
3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 337.35 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 91796999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).