4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid

C13H12N2O3 — CID 82478349

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H12N2O3/c16-13(17)12-11(14-7-15-12)9-3-4-10-8(6-9)2-1-5-18-10/h3-4,6-7H,1-2,5H2,(H,14,15)(H,16,17)
InChIKeyQJKGKUZFYPLGQX-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.10
Rot. Bonds2

About 4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid

4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 82478349) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid
PubChem CID82478349
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H12N2O3/c16-13(17)12-11(14-7-15-12)9-3-4-10-8(6-9)2-1-5-18-10/h3-4,6-7H,1-2,5H2,(H,14,15)(H,16,17)
InChIKeyQJKGKUZFYPLGQX-UHFFFAOYSA-N
XLogP2.10
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-carboxylic acid
CID 82295006
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910642
1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910597
[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
CID 82477483
1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
CID 116895365
5-amino-4-(3,4-dihydro-2H-chromen-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 82488713
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrrole-2-carboxylic acid
CID 79325530
4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
CID 82477480
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid (CID 82478349) is 4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]cnc1-c1ccc2c(c1)CCCO2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is QJKGKUZFYPLGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13(17)12-11(14-7-15-12)9-3-4-10-8(6-9)2-1-5-18-10/h3-4,6-7H,1-2,5H2,(H,14,15)(H,16,17).
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid?
4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82478349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).