1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone

C14H14N2O — CID 116880631

IUPAC1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(-c2ccc3c(c2)CCC3)[nH]1
InChIInChI=1S/C14H14N2O/c1-9(17)14-15-8-13(16-14)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,15,16)
InChIKeyVRRCRVMNVSEJEK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.77
Rot. Bonds2

About 1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone

1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone (PubChem CID 116880631) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone
PubChem CID116880631
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(-c2ccc3c(c2)CCC3)[nH]1
InChIInChI=1S/C14H14N2O/c1-9(17)14-15-8-13(16-14)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,15,16)
InChIKeyVRRCRVMNVSEJEK-UHFFFAOYSA-N
XLogP2.77
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323
6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116880657
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882014
[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]methanethiol
CID 116879138
3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876962
1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
CID 116882176
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol
CID 116879281
2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116877030
1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880650
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883116
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-imidazole-2-carboxamide
CID 116883951

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone (CID 116880631) is 1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone is CC(=O)c1ncc(-c2ccc3c(c2)CCC3)[nH]1.
What is the InChIKey of 1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone?
The InChIKey is VRRCRVMNVSEJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9(17)14-15-8-13(16-14)12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,15,16).
What are the key properties of 1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone?
1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone has a molecular weight of 226.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 116880631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).