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

C15H18N2O2 — CID 117399449

IUPAC1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESCN1CCN=C1c1ccc(C2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H18N2O2/c1-17-10-9-16-13(17)11-3-5-12(6-4-11)15(14(18)19)7-2-8-15/h3-6H,2,7-10H2,1H3,(H,18,19)
InChIKeyDMNOACBBTUZEPU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.88
Rot. Bonds3

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

1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 117399449) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID117399449
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESCN1CCN=C1c1ccc(C2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H18N2O2/c1-17-10-9-16-13(17)11-3-5-12(6-4-11)15(14(18)19)7-2-8-15/h3-6H,2,7-10H2,1H3,(H,18,19)
InChIKeyDMNOACBBTUZEPU-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117433813
1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117362672
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117430746
1-[4-(2-methyltriazol-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 167794406
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid
CID 117466068
1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978
1-methyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-diazepine
CID 143028472
1-(4-anilinophenyl)cyclobutane-1-carboxylic acid
CID 82537404
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972
1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
CID 70818696

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid (CID 117399449) is 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid is CN1CCN=C1c1ccc(C2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is DMNOACBBTUZEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-10-9-16-13(17)11-3-5-12(6-4-11)15(14(18)19)7-2-8-15/h3-6H,2,7-10H2,1H3,(H,18,19).
What are the key properties of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid?
1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 1.88, 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]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117399449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).