[(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol

C20H27N3O2 — CID 146039534

IUPAC[(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol
SMILESCC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1nccn1-c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O2/c1-3-20(14-24)12-16-6-9-18(20)23(16)13-19-21-10-11-22(19)15-4-7-17(25-2)8-5-15/h4-5,7-8,10-11,16,18,24H,3,6,9,12-14H2,1-2H3/t16-,18+,20-/m0/s1
InChIKeyQOFVYTNLQRAOCK-HQRMLTQVSA-N
MW341.45 g/mol
LogP3.01
Rot. Bonds6

About [(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol

[(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol (PubChem CID 146039534) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is [(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol
PubChem CID146039534
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name[(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol
SMILESCC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1nccn1-c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O2/c1-3-20(14-24)12-16-6-9-18(20)23(16)13-19-21-10-11-22(19)15-4-7-17(25-2)8-5-15/h4-5,7-8,10-11,16,18,24H,3,6,9,12-14H2,1-2H3/t16-,18+,20-/m0/s1
InChIKeyQOFVYTNLQRAOCK-HQRMLTQVSA-N
XLogP3.01
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol?
The IUPAC name of [(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol (CID 146039534) is [(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol.
What is the SMILES notation for [(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol?
The canonical SMILES for [(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol is CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1nccn1-c1ccc(OC)cc1.
What is the InChIKey of [(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol?
The InChIKey is QOFVYTNLQRAOCK-HQRMLTQVSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-20(14-24)12-16-6-9-18(20)23(16)13-19-21-10-11-22(19)15-4-7-17(25-2)8-5-15/h4-5,7-8,10-11,16,18,24H,3,6,9,12-14H2,1-2H3/t16-,18+,20-/m0/s1.
What are the key properties of [(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol?
[(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol has a molecular weight of 341.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol is sourced from PubChem (CID 146039534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).