1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid

C16H20N2O2 — CID 117433813

IUPAC1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESCN1CCN=C1c1ccc(C2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C16H20N2O2/c1-18-11-10-17-14(18)12-4-6-13(7-5-12)16(15(19)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyRCGJWRWHVAQGNO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds3

About 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid

1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117433813) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117433813
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESCN1CCN=C1c1ccc(C2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C16H20N2O2/c1-18-11-10-17-14(18)12-4-6-13(7-5-12)16(15(19)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyRCGJWRWHVAQGNO-UHFFFAOYSA-N
XLogP2.28
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid (CID 117433813) is 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid is CN1CCN=C1c1ccc(C2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is RCGJWRWHVAQGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-11-10-17-14(18)12-4-6-13(7-5-12)16(15(19)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,19,20).
What are the key properties of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid?
1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117433813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).