(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione

C28H31N3O4 — CID 134494835

IUPAC(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1cc2occ(C3CCN(C(=O)c4ccc([C@@]5(C(C)C)NC(=O)NC5=O)cc4)CC3)c2cc1C
InChIInChI=1S/C28H31N3O4/c1-16(2)28(26(33)29-27(34)30-28)21-7-5-20(6-8-21)25(32)31-11-9-19(10-12-31)23-15-35-24-14-18(4)17(3)13-22(23)24/h5-8,13-16,19H,9-12H2,1-4H3,(H2,29,30,33,34)/t28-/m1/s1
InChIKeyANYAKOMKQYCSLL-MUUNZHRXSA-N
MW473.57 g/mol
LogP4.76
Rot. Bonds4

About (5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione

(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 134494835) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is (5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID134494835
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1cc2occ(C3CCN(C(=O)c4ccc([C@@]5(C(C)C)NC(=O)NC5=O)cc4)CC3)c2cc1C
InChIInChI=1S/C28H31N3O4/c1-16(2)28(26(33)29-27(34)30-28)21-7-5-20(6-8-21)25(32)31-11-9-19(10-12-31)23-15-35-24-14-18(4)17(3)13-22(23)24/h5-8,13-16,19H,9-12H2,1-4H3,(H2,29,30,33,34)/t28-/m1/s1
InChIKeyANYAKOMKQYCSLL-MUUNZHRXSA-N
XLogP4.76
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[4-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495170
5-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495096
5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495188
(5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494470
(5R)-5-[4-[4-(5,7-dimethylindazol-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494344
(5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494410
(5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494258
(5R)-5-[4-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495001
5-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494930
5-[4-(4-naphthalen-2-ylpiperazine-1-carbonyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494502
[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone
CID 175746087
(2S,3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]-1-[4-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]benzoyl]pyrrolidine-2-carboxylic acid
CID 134495042

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 134494835) is (5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is Cc1cc2occ(C3CCN(C(=O)c4ccc([C@@]5(C(C)C)NC(=O)NC5=O)cc4)CC3)c2cc1C.
What is the InChIKey of (5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is ANYAKOMKQYCSLL-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-16(2)28(26(33)29-27(34)30-28)21-7-5-20(6-8-21)25(32)31-11-9-19(10-12-31)23-15-35-24-14-18(4)17(3)13-22(23)24/h5-8,13-16,19H,9-12H2,1-4H3,(H2,29,30,33,34)/t28-/m1/s1.
What are the key properties of (5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 473.57 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 134494835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).