N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C24H24FN5O3 — CID 95348764

IUPACN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3nc(-c4cccc(F)c4)[nH]c3c1)C2=O
InChIInChI=1S/C24H24FN5O3/c1-14-5-2-3-10-24(14)22(32)30(23(33)29-24)13-20(31)26-17-8-9-18-19(12-17)28-21(27-18)15-6-4-7-16(25)11-15/h4,6-9,11-12,14H,2-3,5,10,13H2,1H3,(H,26,31)(H,27,28)(H,29,33)/t14-,24+/m1/s1
InChIKeyVHKNOSQZLCKARV-SHACYNPGSA-N
MW449.49 g/mol
LogP3.81
Rot. Bonds4

About N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 95348764) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID95348764
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3nc(-c4cccc(F)c4)[nH]c3c1)C2=O
InChIInChI=1S/C24H24FN5O3/c1-14-5-2-3-10-24(14)22(32)30(23(33)29-24)13-20(31)26-17-8-9-18-19(12-17)28-21(27-18)15-6-4-7-16(25)11-15/h4,6-9,11-12,14H,2-3,5,10,13H2,1H3,(H,26,31)(H,27,28)(H,29,33)/t14-,24+/m1/s1
InChIKeyVHKNOSQZLCKARV-SHACYNPGSA-N
XLogP3.81
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 51592951
N-(3-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703426
N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703428
N-(3-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703421
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(4-iodophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 5103394
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9450990
N-(3-cyanophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703516
N-(3-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703513
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40841009
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-3-ylacetamide
CID 4882227
N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119438447

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 95348764) is N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3nc(-c4cccc(F)c4)[nH]c3c1)C2=O.
What is the InChIKey of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is VHKNOSQZLCKARV-SHACYNPGSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-14-5-2-3-10-24(14)22(32)30(23(33)29-24)13-20(31)26-17-8-9-18-19(12-17)28-21(27-18)15-6-4-7-16(25)11-15/h4,6-9,11-12,14H,2-3,5,10,13H2,1H3,(H,26,31)(H,27,28)(H,29,33)/t14-,24+/m1/s1.
What are the key properties of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 449.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 95348764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).