1H-imidazol-2-yl pentanoate

C8H12N2O2 — CID 57278917

IUPAC1H-imidazol-2-yl pentanoate
SMILESCCCCC(=O)Oc1ncc[nH]1
InChIInChI=1S/C8H12N2O2/c1-2-3-4-7(11)12-8-9-5-6-10-8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyVPNIGBZYNPFRMI-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.51
Rot. Bonds4

About 1H-imidazol-2-yl pentanoate

1H-imidazol-2-yl pentanoate (PubChem CID 57278917) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1H-imidazol-2-yl pentanoate.

Molecular Properties

Compound Name1H-imidazol-2-yl pentanoate
PubChem CID57278917
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1H-imidazol-2-yl pentanoate
SMILESCCCCC(=O)Oc1ncc[nH]1
InChIInChI=1S/C8H12N2O2/c1-2-3-4-7(11)12-8-9-5-6-10-8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyVPNIGBZYNPFRMI-UHFFFAOYSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-imidazol-2-yl (9Z,12Z)-octadeca-9,12-dienoate
CID 170689654
1H-imidazol-2-yl 2-ethylhexanoate
CID 166514820
1H-imidazol-2-yl N-(2-methylpropyl)carbamate
CID 70568732
1H-imidazol-2-yl 2,2,2-trifluoroacetate
CID 57289417
(3,5-dihydroxyphenyl) pentanoate
CID 67920605
ethyl 5-(1H-imidazol-2-yl)pentanoate
CID 173264973
1H-imidazol-5-yl hexanoate
CID 57270701
dipentanoyl hexanedioate
CID 174373362
1H-indol-5-yl pentanoate
CID 174735386
2-butyl-1H-imidazole;hexanoic acid
CID 175164203
(4,6-dimethoxy-1,3,5-triazin-2-yl) pentanoate
CID 168908908
(2-pentanoyloxyphenyl) hexanoate
CID 90024108

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl pentanoate?
The IUPAC name of 1H-imidazol-2-yl pentanoate (CID 57278917) is 1H-imidazol-2-yl pentanoate.
What is the SMILES notation for 1H-imidazol-2-yl pentanoate?
The canonical SMILES for 1H-imidazol-2-yl pentanoate is CCCCC(=O)Oc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl pentanoate?
The InChIKey is VPNIGBZYNPFRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-3-4-7(11)12-8-9-5-6-10-8/h5-6H,2-4H2,1H3,(H,9,10).
What are the key properties of 1H-imidazol-2-yl pentanoate?
1H-imidazol-2-yl pentanoate has a molecular weight of 168.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl pentanoate is sourced from PubChem (CID 57278917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).