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

C22H14N6 — CID 134139857

IUPAC1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine
SMILESc1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)cc1
InChIInChI=1S/C22H14N6/c1-2-4-14(5-3-1)18-9-16-20(10-23-18)24-11-21-22(16)28(13-27-21)15-6-7-17-19(8-15)26-12-25-17/h1-13H,(H,25,26)
InChIKeyKLCTWPGEFCWMHD-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.51
Rot. Bonds2

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

1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine (PubChem CID 134139857) has the molecular formula C22H14N6 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine
PubChem CID134139857
Molecular FormulaC22H14N6
Molecular Weight362.40 g/mol
Exact Mass362.13
IUPAC Name1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine
SMILESc1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)cc1
InChIInChI=1S/C22H14N6/c1-2-4-14(5-3-1)18-9-16-20(10-23-18)24-11-21-22(16)28(13-27-21)15-6-7-17-19(8-15)26-12-25-17/h1-13H,(H,25,26)
InChIKeyKLCTWPGEFCWMHD-UHFFFAOYSA-N
XLogP4.51
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.51
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-phenylimidazo[4,5-c][1,7]naphthyridine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine (CID 134139857) is 1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine is c1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)cc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine?
The InChIKey is KLCTWPGEFCWMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6/c1-2-4-14(5-3-1)18-9-16-20(10-23-18)24-11-21-22(16)28(13-27-21)15-6-7-17-19(8-15)26-12-25-17/h1-13H,(H,25,26).
What are the key properties of 1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine?
1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine has a molecular weight of 362.40 g/mol, XLogP of 4.51, 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-phenylimidazo[4,5-c][1,7]naphthyridine is sourced from PubChem (CID 134139857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).