(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol

C24H29FN4O3 — CID 92567317

IUPAC(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
SMILESCOc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c(OC)c1
InChIInChI=1S/C24H29FN4O3/c1-27-10-9-26-24(27)23(30)19-5-4-6-20(25)22(19)29-13-11-28(12-14-29)16-17-7-8-18(31-2)15-21(17)32-3/h4-10,15,23,30H,11-14,16H2,1-3H3/t23-/m1/s1
InChIKeyDOFMJPMQXDHAQN-HSZRJFAPSA-N
MW440.52 g/mol
LogP2.98
Rot. Bonds7

About (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol

(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 92567317) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID92567317
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
SMILESCOc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c(OC)c1
InChIInChI=1S/C24H29FN4O3/c1-27-10-9-26-24(27)23(30)19-5-4-6-20(25)22(19)29-13-11-28(12-14-29)16-17-7-8-18(31-2)15-21(17)32-3/h4-10,15,23,30H,11-14,16H2,1-3H3/t23-/m1/s1
InChIKeyDOFMJPMQXDHAQN-HSZRJFAPSA-N
XLogP2.98
TPSA62.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol with MolForge

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Related Compounds

(S)-[3-fluoro-2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 95801488
[2-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220784
4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 46953574
4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 92567310
[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220751
[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220782
[3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220788
(2,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2891507
[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 110220769
[2-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220787
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220715
[3-fluoro-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-3-ylmethanol
CID 110220819

Frequently Asked Questions

What is the IUPAC name of (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol (CID 92567317) is (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol is COc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c(OC)c1.
What is the InChIKey of (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is DOFMJPMQXDHAQN-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-27-10-9-26-24(27)23(30)19-5-4-6-20(25)22(19)29-13-11-28(12-14-29)16-17-7-8-18(31-2)15-21(17)32-3/h4-10,15,23,30H,11-14,16H2,1-3H3/t23-/m1/s1.
What are the key properties of (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol?
(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 440.52 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 92567317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).