1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid

C15H18N2O2 — CID 117399453

IUPAC1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(N3C=NCC3)c2)CCCC1
InChIInChI=1S/C15H18N2O2/c18-14(19)15(6-1-2-7-15)12-4-3-5-13(10-12)17-9-8-16-11-17/h3-5,10-11H,1-2,6-9H2,(H,18,19)
InChIKeyJPYOIHLKVURJFM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.43
Rot. Bonds3

About 1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid

1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117399453) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117399453
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(N3C=NCC3)c2)CCCC1
InChIInChI=1S/C15H18N2O2/c18-14(19)15(6-1-2-7-15)12-4-3-5-13(10-12)17-9-8-16-11-17/h3-5,10-11H,1-2,6-9H2,(H,18,19)
InChIKeyJPYOIHLKVURJFM-UHFFFAOYSA-N
XLogP2.43
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid (CID 117399453) is 1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2cccc(N3C=NCC3)c2)CCCC1.
What is the InChIKey of 1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is JPYOIHLKVURJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14(19)15(6-1-2-7-15)12-4-3-5-13(10-12)17-9-8-16-11-17/h3-5,10-11H,1-2,6-9H2,(H,18,19).
What are the key properties of 1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid?
1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117399453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).