3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C25H26FN5O3 — CID 45210275

IUPAC3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1nc2ccc(C(=O)N3CCC(C4(C)NC(=O)N(Cc5ccc(F)cc5)C4=O)CC3)cc2[nH]1
InChIInChI=1S/C25H26FN5O3/c1-15-27-20-8-5-17(13-21(20)28-15)22(32)30-11-9-18(10-12-30)25(2)23(33)31(24(34)29-25)14-16-3-6-19(26)7-4-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,27,28)(H,29,34)
InChIKeyVRVDENCZNCWAMS-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.37
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45210275) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45210275
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1nc2ccc(C(=O)N3CCC(C4(C)NC(=O)N(Cc5ccc(F)cc5)C4=O)CC3)cc2[nH]1
InChIInChI=1S/C25H26FN5O3/c1-15-27-20-8-5-17(13-21(20)28-15)22(32)30-11-9-18(10-12-30)25(2)23(33)31(24(34)29-25)14-16-3-6-19(26)7-4-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,27,28)(H,29,34)
InChIKeyVRVDENCZNCWAMS-UHFFFAOYSA-N
XLogP3.37
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45210275) is 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is Cc1nc2ccc(C(=O)N3CCC(C4(C)NC(=O)N(Cc5ccc(F)cc5)C4=O)CC3)cc2[nH]1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is VRVDENCZNCWAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-15-27-20-8-5-17(13-21(20)28-15)22(32)30-11-9-18(10-12-30)25(2)23(33)31(24(34)29-25)14-16-3-6-19(26)7-4-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,27,28)(H,29,34).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 463.51 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45210275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).