5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole

C17H20N2O — CID 135536208

IUPAC5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole
SMILESCc1nc[nH]c1[C@@H]1[C@@H](c2cccc3c2CCO3)C1(C)C
InChIInChI=1S/C17H20N2O/c1-10-16(19-9-18-10)15-14(17(15,2)3)12-5-4-6-13-11(12)7-8-20-13/h4-6,9,14-15H,7-8H2,1-3H3,(H,18,19)/t14-,15+/m1/s1
InChIKeyAXJFSKZDAYDJJT-CABCVRRESA-N
MW268.36 g/mol
LogP3.56
Rot. Bonds2

About 5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole

5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole (PubChem CID 135536208) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole.

Molecular Properties

Compound Name5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole
PubChem CID135536208
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole
SMILESCc1nc[nH]c1[C@@H]1[C@@H](c2cccc3c2CCO3)C1(C)C
InChIInChI=1S/C17H20N2O/c1-10-16(19-9-18-10)15-14(17(15,2)3)12-5-4-6-13-11(12)7-8-20-13/h4-6,9,14-15H,7-8H2,1-3H3,(H,18,19)/t14-,15+/m1/s1
InChIKeyAXJFSKZDAYDJJT-CABCVRRESA-N
XLogP3.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole?
The IUPAC name of 5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole (CID 135536208) is 5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole.
What is the SMILES notation for 5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole?
The canonical SMILES for 5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole is Cc1nc[nH]c1[C@@H]1[C@@H](c2cccc3c2CCO3)C1(C)C.
What is the InChIKey of 5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole?
The InChIKey is AXJFSKZDAYDJJT-CABCVRRESA-N. The full InChI is InChI=1S/C17H20N2O/c1-10-16(19-9-18-10)15-14(17(15,2)3)12-5-4-6-13-11(12)7-8-20-13/h4-6,9,14-15H,7-8H2,1-3H3,(H,18,19)/t14-,15+/m1/s1.
What are the key properties of 5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole?
5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole has a molecular weight of 268.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole is sourced from PubChem (CID 135536208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).