4-butyl-3-cyclopentyl-1H-imidazol-2-one

C12H20N2O — CID 67794663

IUPAC4-butyl-3-cyclopentyl-1H-imidazol-2-one
SMILESCCCCc1c[nH]c(=O)n1C1CCCC1
InChIInChI=1S/C12H20N2O/c1-2-3-6-11-9-13-12(15)14(11)10-7-4-5-8-10/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyHWRJRDMJQRYDHJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.63
Rot. Bonds4

About 4-butyl-3-cyclopentyl-1H-imidazol-2-one

4-butyl-3-cyclopentyl-1H-imidazol-2-one (PubChem CID 67794663) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-butyl-3-cyclopentyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-butyl-3-cyclopentyl-1H-imidazol-2-one
PubChem CID67794663
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-butyl-3-cyclopentyl-1H-imidazol-2-one
SMILESCCCCc1c[nH]c(=O)n1C1CCCC1
InChIInChI=1S/C12H20N2O/c1-2-3-6-11-9-13-12(15)14(11)10-7-4-5-8-10/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyHWRJRDMJQRYDHJ-UHFFFAOYSA-N
XLogP2.63
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-3-propan-2-yl-1H-imidazol-2-one
CID 18384891
4-Hexyl-4-imidazolin-2-one
CID 14572724
3-cyclohexyl-4-methyl-1H-imidazol-2-one
CID 10954129
1-Cyclopentyl-1,3-dihydro-4-methyl-2H-imidazol-2-one
CID 45088913
4-Pentyl-1,3-dihydroimidazol-2-one
CID 14572723
1,4-Dibutylimidazol-2-one
CID 15405728
3,5-dipropyl-1H-imidazol-2-one
CID 18384147
5-butyl-3-(2-methylpropyl)-1H-imidazol-2-one
CID 18384252
5-butyl-3-cyclopentyl-1H-imidazol-2-one
CID 18384336
5-butyl-3-methyl-1H-imidazol-2-one
CID 18384537
3-butyl-5-pentyl-1H-imidazol-2-one
CID 18384587
5-butyl-3-tert-butyl-1H-imidazol-2-one
CID 18384686

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-cyclopentyl-1H-imidazol-2-one?
The IUPAC name of 4-butyl-3-cyclopentyl-1H-imidazol-2-one (CID 67794663) is 4-butyl-3-cyclopentyl-1H-imidazol-2-one.
What is the SMILES notation for 4-butyl-3-cyclopentyl-1H-imidazol-2-one?
The canonical SMILES for 4-butyl-3-cyclopentyl-1H-imidazol-2-one is CCCCc1c[nH]c(=O)n1C1CCCC1.
What is the InChIKey of 4-butyl-3-cyclopentyl-1H-imidazol-2-one?
The InChIKey is HWRJRDMJQRYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-6-11-9-13-12(15)14(11)10-7-4-5-8-10/h9-10H,2-8H2,1H3,(H,13,15).
What are the key properties of 4-butyl-3-cyclopentyl-1H-imidazol-2-one?
4-butyl-3-cyclopentyl-1H-imidazol-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-cyclopentyl-1H-imidazol-2-one is sourced from PubChem (CID 67794663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).