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

C22H16N4O — CID 665315

IUPAC1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
SMILESCN1C(=O)C2(Nc3ccccc3-c3nc4ccccc4n32)c2ccccc21
InChIInChI=1S/C22H16N4O/c1-25-18-12-6-3-9-15(18)22(21(25)27)24-16-10-4-2-8-14(16)20-23-17-11-5-7-13-19(17)26(20)22/h2-13,24H,1H3
InChIKeySFSPAIAVOJLFOM-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.81
Rot. Bonds

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

1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one (PubChem CID 665315) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
PubChem CID665315
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
SMILESCN1C(=O)C2(Nc3ccccc3-c3nc4ccccc4n32)c2ccccc21
InChIInChI=1S/C22H16N4O/c1-25-18-12-6-3-9-15(18)22(21(25)27)24-16-10-4-2-8-14(16)20-23-17-11-5-7-13-19(17)26(20)22/h2-13,24H,1H3
InChIKeySFSPAIAVOJLFOM-UHFFFAOYSA-N
XLogP3.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
The IUPAC name of 1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one (CID 665315) is 1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one.
What is the SMILES notation for 1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
The canonical SMILES for 1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one is CN1C(=O)C2(Nc3ccccc3-c3nc4ccccc4n32)c2ccccc21.
What is the InChIKey of 1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
The InChIKey is SFSPAIAVOJLFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-25-18-12-6-3-9-15(18)22(21(25)27)24-16-10-4-2-8-14(16)20-23-17-11-5-7-13-19(17)26(20)22/h2-13,24H,1H3.
What are the key properties of 1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one has a molecular weight of 352.40 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one is sourced from PubChem (CID 665315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).