3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine

C26H25N3 — CID 89476295

IUPAC3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine
SMILESCc1cc2nc3c4ccc(C(C)(C)C)nc4cc(-c4ccccc4)n3c2cc1C
InChIInChI=1S/C26H25N3/c1-16-13-21-23(14-17(16)2)29-22(18-9-7-6-8-10-18)15-20-19(25(29)28-21)11-12-24(27-20)26(3,4)5/h6-15H,1-5H3
InChIKeyDZYKQTBIPMOIAT-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.62
Rot. Bonds1

About 3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine

3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine (PubChem CID 89476295) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine
PubChem CID89476295
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine
SMILESCc1cc2nc3c4ccc(C(C)(C)C)nc4cc(-c4ccccc4)n3c2cc1C
InChIInChI=1S/C26H25N3/c1-16-13-21-23(14-17(16)2)29-22(18-9-7-6-8-10-18)15-20-19(25(29)28-21)11-12-24(27-20)26(3,4)5/h6-15H,1-5H3
InChIKeyDZYKQTBIPMOIAT-UHFFFAOYSA-N
XLogP6.62
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine?
The IUPAC name of 3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine (CID 89476295) is 3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine.
What is the SMILES notation for 3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine?
The canonical SMILES for 3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine is Cc1cc2nc3c4ccc(C(C)(C)C)nc4cc(-c4ccccc4)n3c2cc1C.
What is the InChIKey of 3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine?
The InChIKey is DZYKQTBIPMOIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-16-13-21-23(14-17(16)2)29-22(18-9-7-6-8-10-18)15-20-19(25(29)28-21)11-12-24(27-20)26(3,4)5/h6-15H,1-5H3.
What are the key properties of 3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine?
3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine has a molecular weight of 379.51 g/mol, XLogP of 6.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine is sourced from PubChem (CID 89476295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).