2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole

C15H18N2O — CID 44571843

IUPAC2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
SMILESCOCCc1cccc2c1CCC2c1ncc[nH]1
InChIInChI=1S/C15H18N2O/c1-18-10-7-11-3-2-4-13-12(11)5-6-14(13)15-16-8-9-17-15/h2-4,8-9,14H,5-7,10H2,1H3,(H,16,17)
InChIKeyNNKSQAHRFKMBLQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.68
Rot. Bonds4

About 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole

2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole (PubChem CID 44571843) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
PubChem CID44571843
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
SMILESCOCCc1cccc2c1CCC2c1ncc[nH]1
InChIInChI=1S/C15H18N2O/c1-18-10-7-11-3-2-4-13-12(11)5-6-14(13)15-16-8-9-17-15/h2-4,8-9,14H,5-7,10H2,1H3,(H,16,17)
InChIKeyNNKSQAHRFKMBLQ-UHFFFAOYSA-N
XLogP2.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The IUPAC name of 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole (CID 44571843) is 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The canonical SMILES for 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole is COCCc1cccc2c1CCC2c1ncc[nH]1.
What is the InChIKey of 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The InChIKey is NNKSQAHRFKMBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-10-7-11-3-2-4-13-12(11)5-6-14(13)15-16-8-9-17-15/h2-4,8-9,14H,5-7,10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole has a molecular weight of 242.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole is sourced from PubChem (CID 44571843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).