4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid

C20H22N2O4 — CID 166619622

IUPAC4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc2c(c1)C=C(c1nccn1C1CCC(C(=O)O)CC1)CO2
InChIInChI=1S/C20H22N2O4/c1-25-17-6-7-18-14(11-17)10-15(12-26-18)19-21-8-9-22(19)16-4-2-13(3-5-16)20(23)24/h6-11,13,16H,2-5,12H2,1H3,(H,23,24)
InChIKeyZCWRKDXKWKUJGS-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.64
Rot. Bonds4

About 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid

4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 166619622) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
PubChem CID166619622
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc2c(c1)C=C(c1nccn1C1CCC(C(=O)O)CC1)CO2
InChIInChI=1S/C20H22N2O4/c1-25-17-6-7-18-14(11-17)10-15(12-26-18)19-21-8-9-22(19)16-4-2-13(3-5-16)20(23)24/h6-11,13,16H,2-5,12H2,1H3,(H,23,24)
InChIKeyZCWRKDXKWKUJGS-UHFFFAOYSA-N
XLogP3.64
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride
CID 154922547
1-(6-methoxy-2H-chromene-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118636
3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine
CID 154565849
acetic acid;4-[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]thiane 1,1-dioxide
CID 155938497
(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99932443
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
1-[(4-chloro-7-methoxy-2H-chromen-3-yl)methyl]azetidine-3-carboxylic acid
CID 118890478
N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide
CID 119602105
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide
CID 119456581
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
(6-methoxy-2H-chromen-3-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124684607
4-(6-methoxy-3-methyl-1-oxoisoquinolin-2-yl)cyclohexane-1-carboxylic acid
CID 71089801

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid (CID 166619622) is 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid is COc1ccc2c(c1)C=C(c1nccn1C1CCC(C(=O)O)CC1)CO2.
What is the InChIKey of 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is ZCWRKDXKWKUJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-6-7-18-14(11-17)10-15(12-26-18)19-21-8-9-22(19)16-4-2-13(3-5-16)20(23)24/h6-11,13,16H,2-5,12H2,1H3,(H,23,24).
What are the key properties of 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid?
4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 166619622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).