2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione

C15H11N3S — CID 70383493

IUPAC2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione
SMILESCc1ccc2nc(=S)n3c4ccccc4[nH]c3c2c1
InChIInChI=1S/C15H11N3S/c1-9-6-7-11-10(8-9)14-16-12-4-2-3-5-13(12)18(14)15(19)17-11/h2-8,16H,1H3
InChIKeyOKKIWNSKBUZRFR-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.01
Rot. Bonds

About 2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione

2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione (PubChem CID 70383493) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione.

Molecular Properties

Compound Name2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione
PubChem CID70383493
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione
SMILESCc1ccc2nc(=S)n3c4ccccc4[nH]c3c2c1
InChIInChI=1S/C15H11N3S/c1-9-6-7-11-10(8-9)14-16-12-4-2-3-5-13(12)18(14)15(19)17-11/h2-8,16H,1H3
InChIKeyOKKIWNSKBUZRFR-UHFFFAOYSA-N
XLogP4.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione?
The IUPAC name of 2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione (CID 70383493) is 2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione.
What is the SMILES notation for 2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione?
The canonical SMILES for 2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione is Cc1ccc2nc(=S)n3c4ccccc4[nH]c3c2c1.
What is the InChIKey of 2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione?
The InChIKey is OKKIWNSKBUZRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-9-6-7-11-10(8-9)14-16-12-4-2-3-5-13(12)18(14)15(19)17-11/h2-8,16H,1H3.
What are the key properties of 2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione?
2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione has a molecular weight of 265.34 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione is sourced from PubChem (CID 70383493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).