7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

C20H25FN4O2 — CID 175643383

IUPAC7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)C1=O
InChIInChI=1S/C20H25FN4O2/c1-2-9-24-10-7-20(19(24)27)8-11-25(13-20)18(26)6-5-17-22-15-4-3-14(21)12-16(15)23-17/h3-4,12H,2,5-11,13H2,1H3,(H,22,23)
InChIKeyKAEDCGMPHHKSSO-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.50
Rot. Bonds5

About 7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175643383) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175643383
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)C1=O
InChIInChI=1S/C20H25FN4O2/c1-2-9-24-10-7-20(19(24)27)8-11-25(13-20)18(26)6-5-17-22-15-4-3-14(21)12-16(15)23-17/h3-4,12H,2,5-11,13H2,1H3,(H,22,23)
InChIKeyKAEDCGMPHHKSSO-UHFFFAOYSA-N
XLogP2.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 95203926
(2S)-6-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-N-(4-methylsulfanylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42406527
(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 125007278
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110085812
3-[3-oxo-3-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)propyl]-1H-benzimidazol-2-one
CID 175640993
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 121498272
(5R)-2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97125079
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
7-[2-(2,3-difluorophenyl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175646532
(5aS,8aS)-7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-5-methyl-2,3,5a,6,8,8a-hexahydropyrrolo[3,4-b][1,4]oxazepin-4-one
CID 154566869
1-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-(6-fluoro-1H-benzimidazol-2-yl)propan-1-one
CID 72897161

Frequently Asked Questions

What is the IUPAC name of 7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (CID 175643383) is 7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is CCCN1CCC2(CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)C1=O.
What is the InChIKey of 7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is KAEDCGMPHHKSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-2-9-24-10-7-20(19(24)27)8-11-25(13-20)18(26)6-5-17-22-15-4-3-14(21)12-16(15)23-17/h3-4,12H,2,5-11,13H2,1H3,(H,22,23).
What are the key properties of 7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 372.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175643383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).