2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione

C27H21N5O3 — CID 1366061

IUPAC2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
SMILESCn1c(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21
InChIInChI=1S/C27H21N5O3/c1-30-22-14-7-6-13-21(22)29-27(30)32-23(28-20-12-5-4-11-19(20)26(32)35)15-8-16-31-24(33)17-9-2-3-10-18(17)25(31)34/h2-7,9-14H,8,15-16H2,1H3
InChIKeyZPNBULSXQHIXGW-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.50
Rot. Bonds5

About 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione

2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione (PubChem CID 1366061) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
PubChem CID1366061
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC Name2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
SMILESCn1c(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21
InChIInChI=1S/C27H21N5O3/c1-30-22-14-7-6-13-21(22)29-27(30)32-23(28-20-12-5-4-11-19(20)26(32)35)15-8-16-31-24(33)17-9-2-3-10-18(17)25(31)34/h2-7,9-14H,8,15-16H2,1H3
InChIKeyZPNBULSXQHIXGW-UHFFFAOYSA-N
XLogP3.50
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione (CID 1366061) is 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione is Cn1c(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21.
What is the InChIKey of 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
The InChIKey is ZPNBULSXQHIXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c1-30-22-14-7-6-13-21(22)29-27(30)32-23(28-20-12-5-4-11-19(20)26(32)35)15-8-16-31-24(33)17-9-2-3-10-18(17)25(31)34/h2-7,9-14H,8,15-16H2,1H3.
What are the key properties of 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione has a molecular weight of 463.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 1366061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).