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

C21H13N7 — CID 134149676

IUPAC1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine
SMILESc1cncc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)c1
InChIInChI=1S/C21H13N7/c1-2-13(8-22-5-1)17-7-15-19(9-23-17)24-10-20-21(15)28(12-27-20)14-3-4-16-18(6-14)26-11-25-16/h1-12H,(H,25,26)
InChIKeyHYEYECAHBQKXSG-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.91
Rot. Bonds2

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

1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine (PubChem CID 134149676) has the molecular formula C21H13N7 and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine
PubChem CID134149676
Molecular FormulaC21H13N7
Molecular Weight363.38 g/mol
Exact Mass363.12
IUPAC Name1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine
SMILESc1cncc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)c1
InChIInChI=1S/C21H13N7/c1-2-13(8-22-5-1)17-7-15-19(9-23-17)24-10-20-21(15)28(12-27-20)14-3-4-16-18(6-14)26-11-25-16/h1-12H,(H,25,26)
InChIKeyHYEYECAHBQKXSG-UHFFFAOYSA-N
XLogP3.91
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.91
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-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine (CID 134149676) is 1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine is c1cncc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine?
The InChIKey is HYEYECAHBQKXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N7/c1-2-13(8-22-5-1)17-7-15-19(9-23-17)24-10-20-21(15)28(12-27-20)14-3-4-16-18(6-14)26-11-25-16/h1-12H,(H,25,26).
What are the key properties of 1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine?
1-(3H-benzimidazol-5-yl)-8-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine has a molecular weight of 363.38 g/mol, XLogP of 3.91, 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-pyridin-3-ylimidazo[4,5-c][1,7]naphthyridine is sourced from PubChem (CID 134149676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).