1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

C21H29N5O4 — CID 24954152

IUPAC1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCN3CCN(C)CC3)C1=O)CCO2
InChIInChI=1S/C21H29N5O4/c1-23-9-11-24(12-10-23)7-3-8-25-20(27)15-26(21(25)28)22-18-6-13-30-19-5-4-16(29-2)14-17(18)19/h4-5,14H,3,6-13,15H2,1-2H3/b22-18+
InChIKeyVVFOXBMFGUEEGE-RELWKKBWSA-N
MW415.49 g/mol
LogP1.08
Rot. Bonds6

About 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 24954152) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID24954152
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCN3CCN(C)CC3)C1=O)CCO2
InChIInChI=1S/C21H29N5O4/c1-23-9-11-24(12-10-23)7-3-8-25-20(27)15-26(21(25)28)22-18-6-13-30-19-5-4-16(29-2)14-17(18)19/h4-5,14H,3,6-13,15H2,1-2H3/b22-18+
InChIKeyVVFOXBMFGUEEGE-RELWKKBWSA-N
XLogP1.08
TPSA77.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (CID 24954152) is 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is COc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCN3CCN(C)CC3)C1=O)CCO2.
What is the InChIKey of 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is VVFOXBMFGUEEGE-RELWKKBWSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-23-9-11-24(12-10-23)7-3-8-25-20(27)15-26(21(25)28)22-18-6-13-30-19-5-4-16(29-2)14-17(18)19/h4-5,14H,3,6-13,15H2,1-2H3/b22-18+.
What are the key properties of 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 415.49 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24954152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).