N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide

C17H29N3O2 — CID 170592534

IUPACN-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCCCCC1=NC(C)(CNC(=O)C2CCCC2)C(=O)N1CC
InChIInChI=1S/C17H29N3O2/c1-4-6-11-14-19-17(3,16(22)20(14)5-2)12-18-15(21)13-9-7-8-10-13/h13H,4-12H2,1-3H3,(H,18,21)
InChIKeyYOBFKGHHIFTSMS-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.50
Rot. Bonds7

About N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide

N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide (PubChem CID 170592534) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide
PubChem CID170592534
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCCCCC1=NC(C)(CNC(=O)C2CCCC2)C(=O)N1CC
InChIInChI=1S/C17H29N3O2/c1-4-6-11-14-19-17(3,16(22)20(14)5-2)12-18-15(21)13-9-7-8-10-13/h13H,4-12H2,1-3H3,(H,18,21)
InChIKeyYOBFKGHHIFTSMS-UHFFFAOYSA-N
XLogP2.50
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide (CID 170592534) is N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide is CCCCC1=NC(C)(CNC(=O)C2CCCC2)C(=O)N1CC.
What is the InChIKey of N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide?
The InChIKey is YOBFKGHHIFTSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-6-11-14-19-17(3,16(22)20(14)5-2)12-18-15(21)13-9-7-8-10-13/h13H,4-12H2,1-3H3,(H,18,21).
What are the key properties of N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide?
N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 170592534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).