2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid

C27H29F6N5O6 — CID 11498262

IUPAC2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNC3CCCC3)c2)C(=O)N1Cc1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H28F3N5O4.C2HF3O2/c1-24(2)22(35)33(23(36)32(24)15-16-9-11-29-12-10-16)18-7-8-20(37-25(26,27)28)19(13-18)31-21(34)14-30-17-5-3-4-6-17;3-2(4,5)1(6)7/h7-13,17,30H,3-6,14-15H2,1-2H3,(H,31,34);(H,6,7)
InChIKeyQHRKONQZQNLQOK-UHFFFAOYSA-N
MW633.55 g/mol
LogP4.83
Rot. Bonds8

About 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid

2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 11498262) has the molecular formula C27H29F6N5O6 and a molecular weight of 633.55 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID11498262
Molecular FormulaC27H29F6N5O6
Molecular Weight633.55 g/mol
Exact Mass633.20
IUPAC Name2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNC3CCCC3)c2)C(=O)N1Cc1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H28F3N5O4.C2HF3O2/c1-24(2)22(35)33(23(36)32(24)15-16-9-11-29-12-10-16)18-7-8-20(37-25(26,27)28)19(13-18)31-21(34)14-30-17-5-3-4-6-17;3-2(4,5)1(6)7/h7-13,17,30H,3-6,14-15H2,1-2H3,(H,31,34);(H,6,7)
InChIKeyQHRKONQZQNLQOK-UHFFFAOYSA-N
XLogP4.83
TPSA141.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.55
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid (CID 11498262) is 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNC3CCCC3)c2)C(=O)N1Cc1ccncc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is QHRKONQZQNLQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O4.C2HF3O2/c1-24(2)22(35)33(23(36)32(24)15-16-9-11-29-12-10-16)18-7-8-20(37-25(26,27)28)19(13-18)31-21(34)14-30-17-5-3-4-6-17;3-2(4,5)1(6)7/h7-13,17,30H,3-6,14-15H2,1-2H3,(H,31,34);(H,6,7).
What are the key properties of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid?
2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 633.55 g/mol, XLogP of 4.83, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11498262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).