2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline

C18H12N4 — CID 171904842

IUPAC2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline
SMILESc1ccc2c(c1)ccc1nc(-c3nc4ccccc4[nH]3)cn12
InChIInChI=1S/C18H12N4/c1-4-8-16-12(5-1)9-10-17-19-15(11-22(16)17)18-20-13-6-2-3-7-14(13)21-18/h1-11H,(H,20,21)
InChIKeyTVAVUIUQAYETKK-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.03
Rot. Bonds1

About 2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline

2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline (PubChem CID 171904842) has the molecular formula C18H12N4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline
PubChem CID171904842
Molecular FormulaC18H12N4
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline
SMILESc1ccc2c(c1)ccc1nc(-c3nc4ccccc4[nH]3)cn12
InChIInChI=1S/C18H12N4/c1-4-8-16-12(5-1)9-10-17-19-15(11-22(16)17)18-20-13-6-2-3-7-14(13)21-18/h1-11H,(H,20,21)
InChIKeyTVAVUIUQAYETKK-UHFFFAOYSA-N
XLogP4.03
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)quinoline
CID 646533
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495752
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-(dioxiran-3-yl)imidazo[1,2-a]quinoline
CID 57315693
2-(1H-benzimidazol-2-yl)benzo[b][1,10]phenanthroline
CID 175723267
2-(4,6-diphenyl-2-pyridinyl)-1H-benzimidazole
CID 4268760
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-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline?
The IUPAC name of 2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline (CID 171904842) is 2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline is c1ccc2c(c1)ccc1nc(-c3nc4ccccc4[nH]3)cn12.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline?
The InChIKey is TVAVUIUQAYETKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4/c1-4-8-16-12(5-1)9-10-17-19-15(11-22(16)17)18-20-13-6-2-3-7-14(13)21-18/h1-11H,(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline?
2-(1H-benzimidazol-2-yl)imidazo[1,2-a]quinoline has a molecular weight of 284.32 g/mol, XLogP of 4.03, 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)imidazo[1,2-a]quinoline is sourced from PubChem (CID 171904842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).