N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide

C14H27N3O — CID 130236178

IUPACN-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCN1CCN=C1CCCC
InChIInChI=1S/C14H27N3O/c1-3-5-7-13-15-9-11-17(13)12-10-16-14(18)8-6-4-2/h3-12H2,1-2H3,(H,16,18)
InChIKeyISWCWIAVMHECBJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.20
Rot. Bonds9

About N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide

N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide (PubChem CID 130236178) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide
PubChem CID130236178
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCN1CCN=C1CCCC
InChIInChI=1S/C14H27N3O/c1-3-5-7-13-15-9-11-17(13)12-10-16-14(18)8-6-4-2/h3-12H2,1-2H3,(H,16,18)
InChIKeyISWCWIAVMHECBJ-UHFFFAOYSA-N
XLogP2.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide (CID 130236178) is N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide is CCCCC(=O)NCCN1CCN=C1CCCC.
What is the InChIKey of N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide?
The InChIKey is ISWCWIAVMHECBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-5-7-13-15-9-11-17(13)12-10-16-14(18)8-6-4-2/h3-12H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide?
N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide has a molecular weight of 253.39 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide is sourced from PubChem (CID 130236178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).