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

C15H18N2O — CID 44571842

IUPAC2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
SMILESCCOCc1cccc2c1CCC2c1ncc[nH]1
InChIInChI=1S/C15H18N2O/c1-2-18-10-11-4-3-5-13-12(11)6-7-14(13)15-16-8-9-17-15/h3-5,8-9,14H,2,6-7,10H2,1H3,(H,16,17)
InChIKeyVNPMWPRPDVXRGM-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.02
Rot. Bonds4

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

2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole (PubChem CID 44571842) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
PubChem CID44571842
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
SMILESCCOCc1cccc2c1CCC2c1ncc[nH]1
InChIInChI=1S/C15H18N2O/c1-2-18-10-11-4-3-5-13-12(11)6-7-14(13)15-16-8-9-17-15/h3-5,8-9,14H,2,6-7,10H2,1H3,(H,16,17)
InChIKeyVNPMWPRPDVXRGM-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

PF-03774076
CID 44593557
(1R,2S,3S)-N-((1H-imidazol-2-yl)methyl)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentanamine
CID 44415554
2-(4-fluoro-2,3-dihydro-7-(methoxymethyl)-1H-inden-3-yl)-1H-imidazole
CID 25154770
2-(4-methoxy-5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
CID 44449247
2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
CID 44449277
(R)-2-(4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
CID 44571841
2-(2,3-dihydro-4-(2-methoxyethyl)-1H-inden-1-yl)-1H-imidazole
CID 44571843
(R)-2-(5-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
CID 44571887
2-(6-fluoro-2,3-dihydro-4-(methoxymethyl)-1H-inden-1-yl)-1H-imidazole
CID 44571888
US10550089, Example 6
CID 132117330
US10550089, Example 4
CID 132116925
1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 145878345

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The IUPAC name of 2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole (CID 44571842) is 2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole.
What is the SMILES notation for 2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The canonical SMILES for 2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole is CCOCc1cccc2c1CCC2c1ncc[nH]1.
What is the InChIKey of 2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The InChIKey is VNPMWPRPDVXRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-18-10-11-4-3-5-13-12(11)6-7-14(13)15-16-8-9-17-15/h3-5,8-9,14H,2,6-7,10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole has a molecular weight of 242.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole is sourced from PubChem (CID 44571842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).