1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine

C20H12N6S — CID 134156928

IUPAC1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
SMILESc1nc2ccc(-n3cnc4cnc5cnc(-c6ccsc6)cc5c43)cc2[nH]1
InChIInChI=1S/C20H12N6S/c1-2-15-17(24-10-23-15)5-13(1)26-11-25-19-8-22-18-7-21-16(6-14(18)20(19)26)12-3-4-27-9-12/h1-11H,(H,23,24)
InChIKeyVVXFXVFJMAGVLA-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.57
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine

1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine (PubChem CID 134156928) has the molecular formula C20H12N6S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
PubChem CID134156928
Molecular FormulaC20H12N6S
Molecular Weight368.43 g/mol
Exact Mass368.08
IUPAC Name1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
SMILESc1nc2ccc(-n3cnc4cnc5cnc(-c6ccsc6)cc5c43)cc2[nH]1
InChIInChI=1S/C20H12N6S/c1-2-15-17(24-10-23-15)5-13(1)26-11-25-19-8-22-18-7-21-16(6-14(18)20(19)26)12-3-4-27-9-12/h1-11H,(H,23,24)
InChIKeyVVXFXVFJMAGVLA-UHFFFAOYSA-N
XLogP4.57
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine (CID 134156928) is 1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine is c1nc2ccc(-n3cnc4cnc5cnc(-c6ccsc6)cc5c43)cc2[nH]1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine?
The InChIKey is VVXFXVFJMAGVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N6S/c1-2-15-17(24-10-23-15)5-13(1)26-11-25-19-8-22-18-7-21-16(6-14(18)20(19)26)12-3-4-27-9-12/h1-11H,(H,23,24).
What are the key properties of 1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine?
1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine has a molecular weight of 368.43 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine is sourced from PubChem (CID 134156928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).