5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole

C18H11ClN4 — CID 146255606

IUPAC5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole
SMILESClc1ccc(-n2c3ccccc3n3c4ccccc4nc23)cn1
InChIInChI=1S/C18H11ClN4/c19-17-10-9-12(11-20-17)22-15-7-3-4-8-16(15)23-14-6-2-1-5-13(14)21-18(22)23/h1-11H
InChIKeyNSCHPIBMPKUHNG-UHFFFAOYSA-N
MW318.77 g/mol
LogP4.48
Rot. Bonds1

About 5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole

5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 146255606) has the molecular formula C18H11ClN4 and a molecular weight of 318.77 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID146255606
Molecular FormulaC18H11ClN4
Molecular Weight318.77 g/mol
Exact Mass318.07
IUPAC Name5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole
SMILESClc1ccc(-n2c3ccccc3n3c4ccccc4nc23)cn1
InChIInChI=1S/C18H11ClN4/c19-17-10-9-12(11-20-17)22-15-7-3-4-8-16(15)23-14-6-2-1-5-13(14)21-18(22)23/h1-11H
InChIKeyNSCHPIBMPKUHNG-UHFFFAOYSA-N
XLogP4.48
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
CID 134409735
5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140948081
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
12,27-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2,4,6,9(14),10,12,15,17,19,21,24(29),25,27-tetradecaene
CID 130450199
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
4,17-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484173
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole (CID 146255606) is 5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole is Clc1ccc(-n2c3ccccc3n3c4ccccc4nc23)cn1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is NSCHPIBMPKUHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4/c19-17-10-9-12(11-20-17)22-15-7-3-4-8-16(15)23-14-6-2-1-5-13(14)21-18(22)23/h1-11H.
What are the key properties of 5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole?
5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 318.77 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 146255606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).