spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane]

C19H19N3 — CID 618861

IUPACspiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane]
SMILESc1ccc2c(c1)NC1(CCCCC1)n1c-2nc2ccccc21
InChIInChI=1S/C19H19N3/c1-6-12-19(13-7-1)21-15-9-3-2-8-14(15)18-20-16-10-4-5-11-17(16)22(18)19/h2-5,8-11,21H,1,6-7,12-13H2
InChIKeyKUXGAUKKKSACNW-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.75
Rot. Bonds

About spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane]

spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane] (PubChem CID 618861) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane].

Molecular Properties

Compound Namespiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane]
PubChem CID618861
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Namespiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane]
SMILESc1ccc2c(c1)NC1(CCCCC1)n1c-2nc2ccccc21
InChIInChI=1S/C19H19N3/c1-6-12-19(13-7-1)21-15-9-3-2-8-14(15)18-20-16-10-4-5-11-17(16)22(18)19/h2-5,8-11,21H,1,6-7,12-13H2
InChIKeyKUXGAUKKKSACNW-UHFFFAOYSA-N
XLogP4.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane]?
The IUPAC name of spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane] (CID 618861) is spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane].
What is the SMILES notation for spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane]?
The canonical SMILES for spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane] is c1ccc2c(c1)NC1(CCCCC1)n1c-2nc2ccccc21.
What is the InChIKey of spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane]?
The InChIKey is KUXGAUKKKSACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-6-12-19(13-7-1)21-15-9-3-2-8-14(15)18-20-16-10-4-5-11-17(16)22(18)19/h2-5,8-11,21H,1,6-7,12-13H2.
What are the key properties of spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane]?
spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane] has a molecular weight of 289.38 g/mol, XLogP of 4.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclohexane] is sourced from PubChem (CID 618861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).