(S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol

C22H28N4O3 — CID 51588155

IUPAC(S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCOCc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1
InChIInChI=1S/C22H28N4O3/c1-24-10-9-23-22(24)21(27)19-5-3-4-6-20(19)26-13-11-25(12-14-26)15-17-7-8-18(29-17)16-28-2/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1
InChIKeyGNVPQGISOHOAQN-NRFANRHFSA-N
MW396.49 g/mol
LogP2.56
Rot. Bonds7

About (S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol

(S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 51588155) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID51588155
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCOCc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1
InChIInChI=1S/C22H28N4O3/c1-24-10-9-23-22(24)21(27)19-5-3-4-6-20(19)26-13-11-25(12-14-26)15-17-7-8-18(29-17)16-28-2/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1
InChIKeyGNVPQGISOHOAQN-NRFANRHFSA-N
XLogP2.56
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (CID 51588155) is (S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is COCc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1.
What is the InChIKey of (S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is GNVPQGISOHOAQN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-24-10-9-23-22(24)21(27)19-5-3-4-6-20(19)26-13-11-25(12-14-26)15-17-7-8-18(29-17)16-28-2/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1.
What are the key properties of (S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
(S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 396.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 51588155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).