2-[(1-propylimidazol-2-yl)methyl]pentanoic acid

C12H20N2O2 — CID 83043652

IUPAC2-[(1-propylimidazol-2-yl)methyl]pentanoic acid
SMILESCCCC(Cc1nccn1CCC)C(=O)O
InChIInChI=1S/C12H20N2O2/c1-3-5-10(12(15)16)9-11-13-6-8-14(11)7-4-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyHBHGLJQNJYEMTH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.34
Rot. Bonds7

About 2-[(1-propylimidazol-2-yl)methyl]pentanoic acid

2-[(1-propylimidazol-2-yl)methyl]pentanoic acid (PubChem CID 83043652) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[(1-propylimidazol-2-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(1-propylimidazol-2-yl)methyl]pentanoic acid
PubChem CID83043652
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[(1-propylimidazol-2-yl)methyl]pentanoic acid
SMILESCCCC(Cc1nccn1CCC)C(=O)O
InChIInChI=1S/C12H20N2O2/c1-3-5-10(12(15)16)9-11-13-6-8-14(11)7-4-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyHBHGLJQNJYEMTH-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(1-ethylimidazol-2-yl)methyl]pentanoate
CID 83043651
3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116708178
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 79753116
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
CID 116582877
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115821078
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propylimidazol-2-yl)methyl]pentanoic acid?
The IUPAC name of 2-[(1-propylimidazol-2-yl)methyl]pentanoic acid (CID 83043652) is 2-[(1-propylimidazol-2-yl)methyl]pentanoic acid.
What is the SMILES notation for 2-[(1-propylimidazol-2-yl)methyl]pentanoic acid?
The canonical SMILES for 2-[(1-propylimidazol-2-yl)methyl]pentanoic acid is CCCC(Cc1nccn1CCC)C(=O)O.
What is the InChIKey of 2-[(1-propylimidazol-2-yl)methyl]pentanoic acid?
The InChIKey is HBHGLJQNJYEMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-10(12(15)16)9-11-13-6-8-14(11)7-4-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-propylimidazol-2-yl)methyl]pentanoic acid?
2-[(1-propylimidazol-2-yl)methyl]pentanoic acid has a molecular weight of 224.30 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propylimidazol-2-yl)methyl]pentanoic acid is sourced from PubChem (CID 83043652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).