1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione

C19H27N5O2 — CID 70171682

IUPAC1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
SMILESCN1CCN(CCCCN2C(=O)CN(/N=C\c3ccccc3)C2=O)CC1
InChIInChI=1S/C19H27N5O2/c1-21-11-13-22(14-12-21)9-5-6-10-23-18(25)16-24(19(23)26)20-15-17-7-3-2-4-8-17/h2-4,7-8,15H,5-6,9-14,16H2,1H3/b20-15-
InChIKeyCOAOBCVPGMVNFQ-HKWRFOASSA-N
MW357.46 g/mol
LogP1.31
Rot. Bonds7

About 1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione

1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione (PubChem CID 70171682) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
PubChem CID70171682
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
SMILESCN1CCN(CCCCN2C(=O)CN(/N=C\c3ccccc3)C2=O)CC1
InChIInChI=1S/C19H27N5O2/c1-21-11-13-22(14-12-21)9-5-6-10-23-18(25)16-24(19(23)26)20-15-17-7-3-2-4-8-17/h2-4,7-8,15H,5-6,9-14,16H2,1H3/b20-15-
InChIKeyCOAOBCVPGMVNFQ-HKWRFOASSA-N
XLogP1.31
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione (CID 70171682) is 1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione is CN1CCN(CCCCN2C(=O)CN(/N=C\c3ccccc3)C2=O)CC1.
What is the InChIKey of 1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione?
The InChIKey is COAOBCVPGMVNFQ-HKWRFOASSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-21-11-13-22(14-12-21)9-5-6-10-23-18(25)16-24(19(23)26)20-15-17-7-3-2-4-8-17/h2-4,7-8,15H,5-6,9-14,16H2,1H3/b20-15-.
What are the key properties of 1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione?
1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione has a molecular weight of 357.46 g/mol, XLogP of 1.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70171682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).