(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol

C22H25ClN4O — CID 92567353

IUPAC(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)c1ccccc1N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClN4O/c1-25-11-10-24-22(25)21(28)19-4-2-3-5-20(19)27-14-12-26(13-15-27)16-17-6-8-18(23)9-7-17/h2-11,21,28H,12-16H2,1H3/t21-/m0/s1
InChIKeyULGSQBSXCNVBLL-NRFANRHFSA-N
MW396.92 g/mol
LogP3.48
Rot. Bonds5

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

(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 92567353) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is (S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID92567353
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)c1ccccc1N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClN4O/c1-25-11-10-24-22(25)21(28)19-4-2-3-5-20(19)27-14-12-26(13-15-27)16-17-6-8-18(23)9-7-17/h2-11,21,28H,12-16H2,1H3/t21-/m0/s1
InChIKeyULGSQBSXCNVBLL-NRFANRHFSA-N
XLogP3.48
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 110220707
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220715
(1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol
CID 46961133
(S)-[2-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 51588155
(1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol
CID 58996635
[3-fluoro-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220751
4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 92567310
[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
[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220782
[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
CID 110245059
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
CID 110220840

Frequently Asked Questions

What is the IUPAC name of (S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (CID 92567353) is (S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@@H](O)c1ccccc1N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is ULGSQBSXCNVBLL-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-25-11-10-24-22(25)21(28)19-4-2-3-5-20(19)27-14-12-26(13-15-27)16-17-6-8-18(23)9-7-17/h2-11,21,28H,12-16H2,1H3/t21-/m0/s1.
What are the key properties of (S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 396.92 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 92567353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).