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

C24H30N4O3 — CID 110220715

IUPAC[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCOc1ccc(CN2CCN(c3ccccc3C(O)c3nccn3C)CC2)cc1OC
InChIInChI=1S/C24H30N4O3/c1-26-11-10-25-24(26)23(29)19-6-4-5-7-20(19)28-14-12-27(13-15-28)17-18-8-9-21(30-2)22(16-18)31-3/h4-11,16,23,29H,12-15,17H2,1-3H3
InChIKeyCOXRPVRUMJIZMO-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.84
Rot. Bonds7

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

[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 110220715) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID110220715
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCOc1ccc(CN2CCN(c3ccccc3C(O)c3nccn3C)CC2)cc1OC
InChIInChI=1S/C24H30N4O3/c1-26-11-10-25-24(26)23(29)19-6-4-5-7-20(19)28-14-12-27(13-15-28)17-18-8-9-21(30-2)22(16-18)31-3/h4-11,16,23,29H,12-15,17H2,1-3H3
InChIKeyCOXRPVRUMJIZMO-UHFFFAOYSA-N
XLogP2.84
TPSA62.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 92567353
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
CID 110220840
3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 110220707
4-[[4-[2-fluoro-6-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 46953574
(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-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol
CID 46961133
(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
(R)-[2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 92567317
(2,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2891507
5-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-2-methoxybenzoic acid
CID 99933001
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (CID 110220715) is [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is COc1ccc(CN2CCN(c3ccccc3C(O)c3nccn3C)CC2)cc1OC.
What is the InChIKey of [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is COXRPVRUMJIZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-26-11-10-25-24(26)23(29)19-6-4-5-7-20(19)28-14-12-27(13-15-28)17-18-8-9-21(30-2)22(16-18)31-3/h4-11,16,23,29H,12-15,17H2,1-3H3.
What are the key properties of [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 422.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 110220715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).