4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C18H20N6O2 — CID 97147336

About 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 97147336) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
• PubChem CID: 97147336
• Molecular Formula: C18H20N6O2
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.16
• IUPAC Name: 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
• SMILES: O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1
• InChI: InChI=1S/C18H20N6O2/c25-17(15-10-21-18(26)22-15)24-8-1-2-14(12-24)16-20-7-9-23(16)11-13-3-5-19-6-4-13/h3-7,9-10,14H,1-2,8,11-12H2,(H2,21,22,26)/t14-/m1/s1
• InChIKey: UUNFGKBWDQSFOZ-CQSZACIVSA-N
• XLogP: 1.36
• TPSA: 99.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 97147336) is 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1.

What is the InChIKey of 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?

The InChIKey is UUNFGKBWDQSFOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-17(15-10-21-18(26)22-15)24-8-1-2-14(12-24)16-20-7-9-23(16)11-13-3-5-19-6-4-13/h3-7,9-10,14H,1-2,8,11-12H2,(H2,21,22,26)/t14-/m1/s1.

What are the key properties of 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?

4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 352.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 97147336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).