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

C23H16N6 — CID 134156318

IUPAC1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine
SMILESCc1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)cc1
InChIInChI=1S/C23H16N6/c1-14-2-4-15(5-3-14)19-9-17-21(10-24-19)25-11-22-23(17)29(13-28-22)16-6-7-18-20(8-16)27-12-26-18/h2-13H,1H3,(H,26,27)
InChIKeyBBZPNSXBLMAPPM-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.82
Rot. Bonds2

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

1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine (PubChem CID 134156318) has the molecular formula C23H16N6 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine
PubChem CID134156318
Molecular FormulaC23H16N6
Molecular Weight376.42 g/mol
Exact Mass376.14
IUPAC Name1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine
SMILESCc1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)cc1
InChIInChI=1S/C23H16N6/c1-14-2-4-15(5-3-14)19-9-17-21(10-24-19)25-11-22-23(17)29(13-28-22)16-6-7-18-20(8-16)27-12-26-18/h2-13H,1H3,(H,26,27)
InChIKeyBBZPNSXBLMAPPM-UHFFFAOYSA-N
XLogP4.82
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine (CID 134156318) is 1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine is Cc1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)cc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine?
The InChIKey is BBZPNSXBLMAPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6/c1-14-2-4-15(5-3-14)19-9-17-21(10-24-19)25-11-22-23(17)29(13-28-22)16-6-7-18-20(8-16)27-12-26-18/h2-13H,1H3,(H,26,27).
What are the key properties of 1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine?
1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine has a molecular weight of 376.42 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-8-(4-methylphenyl)imidazo[4,5-c][1,7]naphthyridine is sourced from PubChem (CID 134156318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).