(1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol

C20H24N4OS — CID 46961134

IUPAC(1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol
SMILESCn1ccnc1C(O)c1ccccc1N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H24N4OS/c1-22-8-7-21-20(22)19(25)17-4-2-3-5-18(17)24-11-9-23(10-12-24)14-16-6-13-26-15-16/h2-8,13,15,19,25H,9-12,14H2,1H3
InChIKeyRKCKRULFHHKKDI-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.89
Rot. Bonds5

About (1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol

(1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol (PubChem CID 46961134) 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-3-ylmethyl)piperazin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol
PubChem CID46961134
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name(1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol
SMILESCn1ccnc1C(O)c1ccccc1N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H24N4OS/c1-22-8-7-21-20(22)19(25)17-4-2-3-5-18(17)24-11-9-23(10-12-24)14-16-6-13-26-15-16/h2-8,13,15,19,25H,9-12,14H2,1H3
InChIKeyRKCKRULFHHKKDI-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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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol (CID 46961134) is (1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol is Cn1ccnc1C(O)c1ccccc1N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol?
The InChIKey is RKCKRULFHHKKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-22-8-7-21-20(22)19(25)17-4-2-3-5-18(17)24-11-9-23(10-12-24)14-16-6-13-26-15-16/h2-8,13,15,19,25H,9-12,14H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol?
(1-methylimidazol-2-yl)-[2-[4-(thiophen-3-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-3-ylmethyl)piperazin-1-yl]phenyl]methanol is sourced from PubChem (CID 46961134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).