4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C14H19N5O2 — CID 72900256

IUPAC4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCCn1ccnc1C1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C14H19N5O2/c1-2-18-7-5-15-12(18)10-4-3-6-19(9-10)13(20)11-8-16-14(21)17-11/h5,7-8,10H,2-4,6,9H2,1H3,(H2,16,17,21)
InChIKeyBFMOKDMEDNEJCZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.94
Rot. Bonds3

About 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 72900256) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID72900256
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCCn1ccnc1C1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C14H19N5O2/c1-2-18-7-5-15-12(18)10-4-3-6-19(9-10)13(20)11-8-16-14(21)17-11/h5,7-8,10H,2-4,6,9H2,1H3,(H2,16,17,21)
InChIKeyBFMOKDMEDNEJCZ-UHFFFAOYSA-N
XLogP0.94
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 72921169
4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 97147336
3-chloro-5-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97154594
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70782941
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 97116494
(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
CID 97284839
(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 97133821
5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97195512
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 74240001

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 72900256) is 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is CCn1ccnc1C1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1.
What is the InChIKey of 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is BFMOKDMEDNEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-18-7-5-15-12(18)10-4-3-6-19(9-10)13(20)11-8-16-14(21)17-11/h5,7-8,10H,2-4,6,9H2,1H3,(H2,16,17,21).
What are the key properties of 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 289.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 72900256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).