2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole

C16H24N4 — CID 165419010

IUPAC2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2CC2CCCC2)[nH]1
InChIInChI=1S/C16H24N4/c1-2-3-8-15-18-11-14(19-15)16-17-9-10-20(16)12-13-6-4-5-7-13/h9-11,13H,2-8,12H2,1H3,(H,18,19)
InChIKeyQEBLEJYPXXLQQJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.81
Rot. Bonds6

About 2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole

2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole (PubChem CID 165419010) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole
PubChem CID165419010
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2CC2CCCC2)[nH]1
InChIInChI=1S/C16H24N4/c1-2-3-8-15-18-11-14(19-15)16-17-9-10-20(16)12-13-6-4-5-7-13/h9-11,13H,2-8,12H2,1H3,(H,18,19)
InChIKeyQEBLEJYPXXLQQJ-UHFFFAOYSA-N
XLogP3.81
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole (CID 165419010) is 2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole is CCCCc1ncc(-c2nccn2CC2CCCC2)[nH]1.
What is the InChIKey of 2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole?
The InChIKey is QEBLEJYPXXLQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-3-8-15-18-11-14(19-15)16-17-9-10-20(16)12-13-6-4-5-7-13/h9-11,13H,2-8,12H2,1H3,(H,18,19).
What are the key properties of 2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole?
2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole has a molecular weight of 272.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 165419010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).