3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline

C24H29N3 — CID 70651033

IUPAC3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline
SMILESCc1cc2nc3c4ccc(C(C)(C)C)cc4nc(C(C)(C)C)n3c2cc1C
InChIInChI=1S/C24H29N3/c1-14-11-19-20(12-15(14)2)27-21(25-19)17-10-9-16(23(3,4)5)13-18(17)26-22(27)24(6,7)8/h9-13H,1-8H3
InChIKeyZJSCNFVLDKBKGF-UHFFFAOYSA-N
MW359.52 g/mol
LogP6.25
Rot. Bonds

About 3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline

3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline (PubChem CID 70651033) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is 3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline
PubChem CID70651033
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Name3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline
SMILESCc1cc2nc3c4ccc(C(C)(C)C)cc4nc(C(C)(C)C)n3c2cc1C
InChIInChI=1S/C24H29N3/c1-14-11-19-20(12-15(14)2)27-21(25-19)17-10-9-16(23(3,4)5)13-18(17)26-22(27)24(6,7)8/h9-13H,1-8H3
InChIKeyZJSCNFVLDKBKGF-UHFFFAOYSA-N
XLogP6.25
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline (CID 70651033) is 3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline is Cc1cc2nc3c4ccc(C(C)(C)C)cc4nc(C(C)(C)C)n3c2cc1C.
What is the InChIKey of 3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline?
The InChIKey is ZJSCNFVLDKBKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3/c1-14-11-19-20(12-15(14)2)27-21(25-19)17-10-9-16(23(3,4)5)13-18(17)26-22(27)24(6,7)8/h9-13H,1-8H3.
What are the key properties of 3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline?
3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline has a molecular weight of 359.52 g/mol, XLogP of 6.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 70651033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).