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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 56917818
1-(cyclopentylmethyl)-2-(2,6-dichlorophenyl)imidazole
CID 165428017
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole
CID 95123103
3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine
CID 10262767
3-[1-(cyclohexylmethyl)imidazol-2-yl]propan-1-amine
CID 84687148
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
1-(cyclobutylmethyl)-N-ethylimidazol-2-amine
CID 106561466
4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
CID 65458282
2-butyl-5-propyl-1H-imidazole
CID 68810469
1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole
CID 57142141
1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
CID 115917906

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).