[2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol

C21H30N4O — CID 110220700

IUPAC[2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1ccccc1N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C21H30N4O/c1-23-11-10-22-21(23)20(26)18-8-4-5-9-19(18)25-14-12-24(13-15-25)16-17-6-2-3-7-17/h4-5,8-11,17,20,26H,2-3,6-7,12-16H2,1H3
InChIKeyZFFZWORQMYRUNR-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.81
Rot. Bonds5

About [2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol

[2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 110220700) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is [2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID110220700
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name[2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1ccccc1N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C21H30N4O/c1-23-11-10-22-21(23)20(26)18-8-4-5-9-19(18)25-14-12-24(13-15-25)16-17-6-2-3-7-17/h4-5,8-11,17,20,26H,2-3,6-7,12-16H2,1H3
InChIKeyZFFZWORQMYRUNR-UHFFFAOYSA-N
XLogP2.81
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
[4-(1H-imidazol-1-yl)phenyl](4-methylphenyl)methanol
CID 3842547
(1-benzyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2870369
1-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1H-imidazol-5-yl)-2-methylpropan-1-ol
CID 44407163
2-(4-(2-sec-butyl-5-(1-hydroxyethyl)-1H-imidazol-1-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 44407231
[1-methyl-2-(propan-2-yl)-1H-imidazol-5-yl](phenyl)methanol
CID 3291165
(4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanol
CID 4912907
1-(3-Benzyl-2-methylimidazol-4-yl)-1-(2-methylphenyl)ethanol
CID 304292
5-[hydroxy(phenyl)methyl]-1,3-dimethyl-1H-imidazol-3-ium
CID 3240397
2-(4-(2-sec-butyl-5-(hydroxy(phenyl)methyl)-1H-imidazol-1-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 44407260
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-isopropyl-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407262
(3-Methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol
CID 2891022

Frequently Asked Questions

What is the IUPAC name of [2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (CID 110220700) is [2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)c1ccccc1N1CCN(CC2CCCC2)CC1.
What is the InChIKey of [2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is ZFFZWORQMYRUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-23-11-10-22-21(23)20(26)18-8-4-5-9-19(18)25-14-12-24(13-15-25)16-17-6-2-3-7-17/h4-5,8-11,17,20,26H,2-3,6-7,12-16H2,1H3.
What are the key properties of [2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?
[2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 354.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 110220700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).