2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole

C12H12N2 — CID 44574834

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole
SMILESc1ccc2c(c1)CC(c1ncc[nH]1)C2
InChIInChI=1S/C12H12N2/c1-2-4-10-8-11(7-9(10)3-1)12-13-5-6-14-12/h1-6,11H,7-8H2,(H,13,14)
InChIKeyKMKRWMBSKDDVCW-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.29
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole

2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole (PubChem CID 44574834) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole
PubChem CID44574834
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole
SMILESc1ccc2c(c1)CC(c1ncc[nH]1)C2
InChIInChI=1S/C12H12N2/c1-2-4-10-8-11(7-9(10)3-1)12-13-5-6-14-12/h1-6,11H,7-8H2,(H,13,14)
InChIKeyKMKRWMBSKDDVCW-UHFFFAOYSA-N
XLogP2.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole (CID 44574834) is 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole is c1ccc2c(c1)CC(c1ncc[nH]1)C2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole?
The InChIKey is KMKRWMBSKDDVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-4-10-8-11(7-9(10)3-1)12-13-5-6-14-12/h1-6,11H,7-8H2,(H,13,14).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole?
2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole has a molecular weight of 184.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole is sourced from PubChem (CID 44574834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).