(4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride

C23H25ClN4O2 — CID 136619591

IUPAC(4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride
SMILESCl.O=C1NC(N2CCN(CCO)CC2)=N/C1=C\c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H24N4O2.ClH/c28-12-11-26-7-9-27(10-8-26)23-24-21(22(29)25-23)14-16-5-6-20-18(13-16)15-17-3-1-2-4-19(17)20;/h1-6,13-14,28H,7-12,15H2,(H,24,25,29);1H/b21-14-;
InChIKeyZIBQGLUFLKKQAQ-UXTSPRGOSA-N
MW424.93 g/mol
LogP2.12
Rot. Bonds3

About (4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride

(4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride (PubChem CID 136619591) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is (4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride.

Molecular Properties

Compound Name(4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride
PubChem CID136619591
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name(4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride
SMILESCl.O=C1NC(N2CCN(CCO)CC2)=N/C1=C\c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H24N4O2.ClH/c28-12-11-26-7-9-27(10-8-26)23-24-21(22(29)25-23)14-16-5-6-20-18(13-16)15-17-3-1-2-4-19(17)20;/h1-6,13-14,28H,7-12,15H2,(H,24,25,29);1H/b21-14-;
InChIKeyZIBQGLUFLKKQAQ-UXTSPRGOSA-N
XLogP2.12
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride?
The IUPAC name of (4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride (CID 136619591) is (4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride.
What is the SMILES notation for (4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride?
The canonical SMILES for (4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride is Cl.O=C1NC(N2CCN(CCO)CC2)=N/C1=C\c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of (4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride?
The InChIKey is ZIBQGLUFLKKQAQ-UXTSPRGOSA-N. The full InChI is InChI=1S/C23H24N4O2.ClH/c28-12-11-26-7-9-27(10-8-26)23-24-21(22(29)25-23)14-16-5-6-20-18(13-16)15-17-3-1-2-4-19(17)20;/h1-6,13-14,28H,7-12,15H2,(H,24,25,29);1H/b21-14-;.
What are the key properties of (4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride?
(4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride has a molecular weight of 424.93 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride is sourced from PubChem (CID 136619591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).