6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline

C18H19N3 — CID 156683259

IUPAC6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)C1=Nc2ccccc2C2Nc3ccccc3N12
InChIInChI=1S/C18H19N3/c1-18(2,3)17-20-13-9-5-4-8-12(13)16-19-14-10-6-7-11-15(14)21(16)17/h4-11,16,19H,1-3H3
InChIKeyJKQOBTYXTDRMJS-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.71
Rot. Bonds

About 6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline

6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 156683259) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID156683259
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)C1=Nc2ccccc2C2Nc3ccccc3N12
InChIInChI=1S/C18H19N3/c1-18(2,3)17-20-13-9-5-4-8-12(13)16-19-14-10-6-7-11-15(14)21(16)17/h4-11,16,19H,1-3H3
InChIKeyJKQOBTYXTDRMJS-UHFFFAOYSA-N
XLogP4.71
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline (CID 156683259) is 6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline is CC(C)(C)C1=Nc2ccccc2C2Nc3ccccc3N12.
What is the InChIKey of 6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is JKQOBTYXTDRMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-18(2,3)17-20-13-9-5-4-8-12(13)16-19-14-10-6-7-11-15(14)21(16)17/h4-11,16,19H,1-3H3.
What are the key properties of 6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline?
6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 277.37 g/mol, XLogP of 4.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-12,12a-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 156683259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).