1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol

C21H25N5O — CID 14099726

IUPAC1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESCc1[nH]c(-c2cccnc2)nc1C(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c1-16-20(24-21(23-16)17-6-5-9-22-14-17)19(27)15-25-10-12-26(13-11-25)18-7-3-2-4-8-18/h2-9,14,19,27H,10-13,15H2,1H3,(H,23,24)
InChIKeyHUHPZRFCVBJPDU-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.64
Rot. Bonds5

About 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol

1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol (PubChem CID 14099726) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol
PubChem CID14099726
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESCc1[nH]c(-c2cccnc2)nc1C(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c1-16-20(24-21(23-16)17-6-5-9-22-14-17)19(27)15-25-10-12-26(13-11-25)18-7-3-2-4-8-18/h2-9,14,19,27H,10-13,15H2,1H3,(H,23,24)
InChIKeyHUHPZRFCVBJPDU-UHFFFAOYSA-N
XLogP2.64
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol (CID 14099726) is 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol is Cc1[nH]c(-c2cccnc2)nc1C(O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The InChIKey is HUHPZRFCVBJPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-20(24-21(23-16)17-6-5-9-22-14-17)19(27)15-25-10-12-26(13-11-25)18-7-3-2-4-8-18/h2-9,14,19,27H,10-13,15H2,1H3,(H,23,24).
What are the key properties of 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol has a molecular weight of 363.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol is sourced from PubChem (CID 14099726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).