5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole

C16H26N4O — CID 69023346

IUPAC5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole
SMILESCCC(CCOCCC(CC)c1cnc[nH]1)c1cnc[nH]1
InChIInChI=1S/C16H26N4O/c1-3-13(15-9-17-11-19-15)5-7-21-8-6-14(4-2)16-10-18-12-20-16/h9-14H,3-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVGTXXSGAAKFFDE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.62
Rot. Bonds10

About 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole

5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole (PubChem CID 69023346) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole
PubChem CID69023346
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole
SMILESCCC(CCOCCC(CC)c1cnc[nH]1)c1cnc[nH]1
InChIInChI=1S/C16H26N4O/c1-3-13(15-9-17-11-19-15)5-7-21-8-6-14(4-2)16-10-18-12-20-16/h9-14H,3-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVGTXXSGAAKFFDE-UHFFFAOYSA-N
XLogP3.62
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-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

Fub 465
CID 9989449
3-(1H-imidazol-5-yl)propyl N-(2-methylpentyl)carbamate
CID 10515050
(S)-3-(1H-imidazol-4-yl)propyl 2-methylbutylcarbamate
CID 10776393
3-(1H-imidazol-4-yl)propyl 3,3-dimethylbutyl ether
CID 10130526
3-(1H-Imidazol-4-yl)propyl 2-methylpropyl ether
CID 10821309
(R,S)-3-(1H-imidazol-4-yl)propyl 2-ethylhexylcarbamate
CID 10715823
Cyclopentylmethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10729448
3-(1H-imidazol-5-yl)propyl N-(3-methylpentyl)carbamate
CID 10800875
3-(1H-imidazol-5-yl)propyl 3,3-dimethylbutanoate
CID 10922164
3-(1H-imidazol-5-yl)propyl N-(3-methylbutan-2-yl)carbamate
CID 10955652
4-[3-(4,4-Dimethyl-pentyloxy)-propyl]-1H-imidazole;C2H2O4
CID 10977121
3-(1H-imidazol-5-yl)propyl N-(2,4-dimethylpentan-3-yl)carbamate
CID 11010982

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole?
The IUPAC name of 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole (CID 69023346) is 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole.
What is the SMILES notation for 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole?
The canonical SMILES for 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole is CCC(CCOCCC(CC)c1cnc[nH]1)c1cnc[nH]1.
What is the InChIKey of 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole?
The InChIKey is VGTXXSGAAKFFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-13(15-9-17-11-19-15)5-7-21-8-6-14(4-2)16-10-18-12-20-16/h9-14H,3-8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole?
5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole has a molecular weight of 290.41 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole is sourced from PubChem (CID 69023346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).