2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline

C23H14N4 — CID 175723267

IUPAC2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline
SMILESc1ccc2nc3c(ccc4ccc(-c5nc6ccccc6[nH]5)nc43)cc2c1
InChIInChI=1S/C23H14N4/c1-2-6-17-15(5-1)13-16-10-9-14-11-12-20(25-21(14)22(16)24-17)23-26-18-7-3-4-8-19(18)27-23/h1-13H,(H,26,27)
InChIKeyKVTWXRBOMAHGKM-UHFFFAOYSA-N
MW346.39 g/mol
LogP5.48
Rot. Bonds1

About 2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline

2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline (PubChem CID 175723267) has the molecular formula C23H14N4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline
PubChem CID175723267
Molecular FormulaC23H14N4
Molecular Weight346.39 g/mol
Exact Mass346.12
IUPAC Name2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline
SMILESc1ccc2nc3c(ccc4ccc(-c5nc6ccccc6[nH]5)nc43)cc2c1
InChIInChI=1S/C23H14N4/c1-2-6-17-15(5-1)13-16-10-9-14-11-12-20(25-21(14)22(16)24-17)23-26-18-7-3-4-8-19(18)27-23/h1-13H,(H,26,27)
InChIKeyKVTWXRBOMAHGKM-UHFFFAOYSA-N
XLogP5.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.39
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-yl)quinoline
CID 646533
2-quinolin-2-ylbenzo[b][1,10]phenanthroline
CID 11371746
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
sodium 2-[2-(1H-benzimidazol-2-yl)quinolin-8-yl]oxyacetate
CID 102431809
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
CID 79004134
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-[[2-(1H-benzimidazol-2-yl)quinolin-8-yl]iminomethyl]-4-tert-butyl-6-methylphenol
CID 136672980
2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
CID 59359581
2-(4,6-diphenyl-2-pyridinyl)-1H-benzimidazole
CID 4268760
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline?
The IUPAC name of 2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline (CID 175723267) is 2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline is c1ccc2nc3c(ccc4ccc(-c5nc6ccccc6[nH]5)nc43)cc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline?
The InChIKey is KVTWXRBOMAHGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4/c1-2-6-17-15(5-1)13-16-10-9-14-11-12-20(25-21(14)22(16)24-17)23-26-18-7-3-4-8-19(18)27-23/h1-13H,(H,26,27).
What are the key properties of 2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline?
2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline has a molecular weight of 346.39 g/mol, XLogP of 5.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline is sourced from PubChem (CID 175723267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).