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

C14H16N2O2 — CID 117362672

IUPAC1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCN1CCN=C1c1ccccc1C1(C(=O)O)CC1
InChIInChI=1S/C14H16N2O2/c1-16-9-8-15-12(16)10-4-2-3-5-11(10)14(6-7-14)13(17)18/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyBDJDPKZYBRBLAC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.49
Rot. Bonds3

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

1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117362672) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117362672
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCN1CCN=C1c1ccccc1C1(C(=O)O)CC1
InChIInChI=1S/C14H16N2O2/c1-16-9-8-15-12(16)10-4-2-3-5-11(10)14(6-7-14)13(17)18/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyBDJDPKZYBRBLAC-UHFFFAOYSA-N
XLogP1.49
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.49
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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117399449
1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine
CID 117331105
3-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]propanal
CID 117308217
2-(2-butan-2-ylphenyl)-1-methyl-4,5-dihydroimidazole
CID 144582436
1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117112248
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117487174
4-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117355369
1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117394127
1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 82304051
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid (CID 117362672) is 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid is CN1CCN=C1c1ccccc1C1(C(=O)O)CC1.
What is the InChIKey of 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is BDJDPKZYBRBLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-9-8-15-12(16)10-4-2-3-5-11(10)14(6-7-14)13(17)18/h2-5H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid?
1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117362672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).