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

C24H30N4O — CID 46961133

IUPAC(1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol
SMILESCC(CN1CCN(c2ccccc2C(O)c2nccn2C)CC1)c1ccccc1
InChIInChI=1S/C24H30N4O/c1-19(20-8-4-3-5-9-20)18-27-14-16-28(17-15-27)22-11-7-6-10-21(22)23(29)24-25-12-13-26(24)2/h3-13,19,23,29H,14-18H2,1-2H3
InChIKeyGMFMJFKXFWEDAR-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.43
Rot. Bonds6

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

(1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol (PubChem CID 46961133) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol
PubChem CID46961133
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol
SMILESCC(CN1CCN(c2ccccc2C(O)c2nccn2C)CC1)c1ccccc1
InChIInChI=1S/C24H30N4O/c1-19(20-8-4-3-5-9-20)18-27-14-16-28(17-15-27)22-11-7-6-10-21(22)23(29)24-25-12-13-26(24)2/h3-13,19,23,29H,14-18H2,1-2H3
InChIKeyGMFMJFKXFWEDAR-UHFFFAOYSA-N
XLogP3.43
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol (CID 46961133) is (1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol is CC(CN1CCN(c2ccccc2C(O)c2nccn2C)CC1)c1ccccc1.
What is the InChIKey of (1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol?
The InChIKey is GMFMJFKXFWEDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-19(20-8-4-3-5-9-20)18-27-14-16-28(17-15-27)22-11-7-6-10-21(22)23(29)24-25-12-13-26(24)2/h3-13,19,23,29H,14-18H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol?
(1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol has a molecular weight of 390.53 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[2-[4-(2-phenylpropyl)piperazin-1-yl]phenyl]methanol is sourced from PubChem (CID 46961133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).