[1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid

C29H28FN5O4 — CID 146421485

IUPAC[1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(F)cc(C(=O)N2CCC(NC(=O)O)CC2)c1
InChIInChI=1S/C29H28FN5O4/c30-23-16-19(15-20(17-23)25(36)34-13-11-24(12-14-34)32-28(38)39)18-35-26(37)29(33-27(35)31,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,15-17,24,32H,11-14,18H2,(H2,31,33)(H,38,39)
InChIKeyBEXWTPSLCHEJKH-UHFFFAOYSA-N
MW529.57 g/mol
LogP3.30
Rot. Bonds6

About [1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid

[1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid (PubChem CID 146421485) has the molecular formula C29H28FN5O4 and a molecular weight of 529.57 g/mol. Its IUPAC name is [1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid
PubChem CID146421485
Molecular FormulaC29H28FN5O4
Molecular Weight529.57 g/mol
Exact Mass529.21
IUPAC Name[1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(F)cc(C(=O)N2CCC(NC(=O)O)CC2)c1
InChIInChI=1S/C29H28FN5O4/c30-23-16-19(15-20(17-23)25(36)34-13-11-24(12-14-34)32-28(38)39)18-35-26(37)29(33-27(35)31,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,15-17,24,32H,11-14,18H2,(H2,31,33)(H,38,39)
InChIKeyBEXWTPSLCHEJKH-UHFFFAOYSA-N
XLogP3.30
TPSA128.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.57
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid (CID 146421485) is [1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(F)cc(C(=O)N2CCC(NC(=O)O)CC2)c1.
What is the InChIKey of [1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid?
The InChIKey is BEXWTPSLCHEJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O4/c30-23-16-19(15-20(17-23)25(36)34-13-11-24(12-14-34)32-28(38)39)18-35-26(37)29(33-27(35)31,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,15-17,24,32H,11-14,18H2,(H2,31,33)(H,38,39).
What are the key properties of [1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid?
[1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid has a molecular weight of 529.57 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-5-fluorobenzoyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 146421485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).