1-(5-imidazol-1-ylpentan-2-yl)imidazole

C11H16N4 — CID 174937181

IUPAC1-(5-imidazol-1-ylpentan-2-yl)imidazole
SMILESCC(CCCn1ccnc1)n1ccnc1
InChIInChI=1S/C11H16N4/c1-11(15-8-5-13-10-15)3-2-6-14-7-4-12-9-14/h4-5,7-11H,2-3,6H2,1H3
InChIKeyPEHVSCMZMZKQLC-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.12
Rot. Bonds5

About 1-(5-imidazol-1-ylpentan-2-yl)imidazole

1-(5-imidazol-1-ylpentan-2-yl)imidazole (PubChem CID 174937181) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-(5-imidazol-1-ylpentan-2-yl)imidazole.

Molecular Properties

Compound Name1-(5-imidazol-1-ylpentan-2-yl)imidazole
PubChem CID174937181
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-(5-imidazol-1-ylpentan-2-yl)imidazole
SMILESCC(CCCn1ccnc1)n1ccnc1
InChIInChI=1S/C11H16N4/c1-11(15-8-5-13-10-15)3-2-6-14-7-4-12-9-14/h4-5,7-11H,2-3,6H2,1H3
InChIKeyPEHVSCMZMZKQLC-UHFFFAOYSA-N
XLogP2.12
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,10-dimethylundecan-2-yl)imidazole
CID 20528534
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
4-imidazol-1-yl-N-methylpentan-1-amine
CID 62446813
1-(7-methyloctyl)imidazole
CID 59001100
6-imidazol-1-yl-3-methylhexan-1-ol
CID 144712002
6-imidazol-1-ylhexan-3-ol
CID 106802503
carbonic acid;1-nonan-2-ylimidazole
CID 175092771
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
formic acid;1-octan-2-ylimidazole
CID 175596795
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669
2-fluoro-5-imidazol-1-ylpentanal
CID 55266749
sodium;1-butylimidazole;bromide
CID 175480877

Frequently Asked Questions

What is the IUPAC name of 1-(5-imidazol-1-ylpentan-2-yl)imidazole?
The IUPAC name of 1-(5-imidazol-1-ylpentan-2-yl)imidazole (CID 174937181) is 1-(5-imidazol-1-ylpentan-2-yl)imidazole.
What is the SMILES notation for 1-(5-imidazol-1-ylpentan-2-yl)imidazole?
The canonical SMILES for 1-(5-imidazol-1-ylpentan-2-yl)imidazole is CC(CCCn1ccnc1)n1ccnc1.
What is the InChIKey of 1-(5-imidazol-1-ylpentan-2-yl)imidazole?
The InChIKey is PEHVSCMZMZKQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-11(15-8-5-13-10-15)3-2-6-14-7-4-12-9-14/h4-5,7-11H,2-3,6H2,1H3.
What are the key properties of 1-(5-imidazol-1-ylpentan-2-yl)imidazole?
1-(5-imidazol-1-ylpentan-2-yl)imidazole has a molecular weight of 204.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-imidazol-1-ylpentan-2-yl)imidazole is sourced from PubChem (CID 174937181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).