5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one

C23H17BrN4O — CID 3578642

IUPAC5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
SMILESCCN1C(=O)C2(Nc3ccccc3-c3nc4ccccc4n32)c2cc(Br)ccc21
InChIInChI=1S/C23H17BrN4O/c1-2-27-19-12-11-14(24)13-16(19)23(22(27)29)26-17-8-4-3-7-15(17)21-25-18-9-5-6-10-20(18)28(21)23/h3-13,26H,2H2,1H3
InChIKeyJAOXMWQGHOIFKC-UHFFFAOYSA-N
MW445.32 g/mol
LogP4.96
Rot. Bonds1

About 5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one

5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one (PubChem CID 3578642) has the molecular formula C23H17BrN4O and a molecular weight of 445.32 g/mol. Its IUPAC name is 5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
PubChem CID3578642
Molecular FormulaC23H17BrN4O
Molecular Weight445.32 g/mol
Exact Mass444.06
IUPAC Name5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
SMILESCCN1C(=O)C2(Nc3ccccc3-c3nc4ccccc4n32)c2cc(Br)ccc21
InChIInChI=1S/C23H17BrN4O/c1-2-27-19-12-11-14(24)13-16(19)23(22(27)29)26-17-8-4-3-7-15(17)21-25-18-9-5-6-10-20(18)28(21)23/h3-13,26H,2H2,1H3
InChIKeyJAOXMWQGHOIFKC-UHFFFAOYSA-N
XLogP4.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
The IUPAC name of 5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one (CID 3578642) is 5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one.
What is the SMILES notation for 5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
The canonical SMILES for 5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one is CCN1C(=O)C2(Nc3ccccc3-c3nc4ccccc4n32)c2cc(Br)ccc21.
What is the InChIKey of 5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
The InChIKey is JAOXMWQGHOIFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN4O/c1-2-27-19-12-11-14(24)13-16(19)23(22(27)29)26-17-8-4-3-7-15(17)21-25-18-9-5-6-10-20(18)28(21)23/h3-13,26H,2H2,1H3.
What are the key properties of 5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one has a molecular weight of 445.32 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one is sourced from PubChem (CID 3578642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).