2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid

C15H16N2O2 — CID 82299632

IUPAC2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
SMILESCc1nc(-c2ccc3c(c2)CCC3)cn1CC(=O)O
InChIInChI=1S/C15H16N2O2/c1-10-16-14(8-17(10)9-15(18)19)13-6-5-11-3-2-4-12(11)7-13/h5-8H,2-4,9H2,1H3,(H,18,19)
InChIKeyNSNSFMPKYJMRAK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.43
Rot. Bonds3

About 2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid

2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid (PubChem CID 82299632) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
PubChem CID82299632
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
SMILESCc1nc(-c2ccc3c(c2)CCC3)cn1CC(=O)O
InChIInChI=1S/C15H16N2O2/c1-10-16-14(8-17(10)9-15(18)19)13-6-5-11-3-2-4-12(11)7-13/h5-8H,2-4,9H2,1H3,(H,18,19)
InChIKeyNSNSFMPKYJMRAK-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 82305966
2-[4-(3-ethyl-4-methoxyphenyl)-2-methylimidazol-1-yl]acetic acid
CID 82306975
6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid
CID 82381465
4-(2,3-dihydro-1H-inden-5-yl)imidazole-1,2-diamine
CID 82284524
2-[6-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid;dihydrochloride
CID 66877716
4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
CID 116899724
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid
CID 82123787
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
CID 82049589
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062351
2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209802
2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 82488298

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid (CID 82299632) is 2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid is Cc1nc(-c2ccc3c(c2)CCC3)cn1CC(=O)O.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid?
The InChIKey is NSNSFMPKYJMRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-16-14(8-17(10)9-15(18)19)13-6-5-11-3-2-4-12(11)7-13/h5-8H,2-4,9H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid?
2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid has a molecular weight of 256.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid is sourced from PubChem (CID 82299632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).