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

C20H24N4OS — CID 110220704

IUPAC(1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol
SMILESCn1ccnc1C(O)c1ccccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H24N4OS/c1-22-9-8-21-20(22)19(25)17-6-2-3-7-18(17)24-12-10-23(11-13-24)15-16-5-4-14-26-16/h2-9,14,19,25H,10-13,15H2,1H3
InChIKeyBWIHSFUXQRNRGL-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.89
Rot. Bonds5

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

(1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol (PubChem CID 110220704) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol
PubChem CID110220704
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name(1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol
SMILESCn1ccnc1C(O)c1ccccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H24N4OS/c1-22-9-8-21-20(22)19(25)17-6-2-3-7-18(17)24-12-10-23(11-13-24)15-16-5-4-14-26-16/h2-9,14,19,25H,10-13,15H2,1H3
InChIKeyBWIHSFUXQRNRGL-UHFFFAOYSA-N
XLogP2.89
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(1-Phenylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134142080
1-Phenyl-2-[5-pyridin-2-yl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]ethanol
CID 176556162
(1-Methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol
CID 46961134
[2-[4-(Cyclopentylmethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220700
2-[1-[4-[5-(Hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251625
1-[3-(7-Fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol
CID 123310443
[4-[4-[2-[2-(Trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol
CID 141164390
2-Methyl-1-(3-thiophen-2-ylimidazo[1,2-a]pyridin-2-yl)propan-1-ol
CID 134969553
(1S)-1-(9-benzylpurin-6-yl)-2-thiophen-2-ylethanol
CID 166446826
[2-[4-(Cyclopentylmethyl)piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 46953573
[3-Fluoro-2-[4-(2-phenylethyl)piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 46961141
[3-Fluoro-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 46961143

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol (CID 110220704) is (1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol is Cn1ccnc1C(O)c1ccccc1N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol?
The InChIKey is BWIHSFUXQRNRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-22-9-8-21-20(22)19(25)17-6-2-3-7-18(17)24-12-10-23(11-13-24)15-16-5-4-14-26-16/h2-9,14,19,25H,10-13,15H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol?
(1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol has a molecular weight of 368.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol is sourced from PubChem (CID 110220704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).