2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole

C19H13N5 — CID 53422957

IUPAC2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole
SMILESC1=CC2=NC(c3cccc(C4=NC5C=CC=CC5=N4)n3)=NC2C=C1
InChIInChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-12,14H
InChIKeyBGJLRKJVVGLPQD-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.47
Rot. Bonds2

About 2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole

2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole (PubChem CID 53422957) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole.

Molecular Properties

Compound Name2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole
PubChem CID53422957
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole
SMILESC1=CC2=NC(c3cccc(C4=NC5C=CC=CC5=N4)n3)=NC2C=C1
InChIInChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-12,14H
InChIKeyBGJLRKJVVGLPQD-UHFFFAOYSA-N
XLogP2.47
TPSA62.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;vanadium;trichloride
CID 173245306
6-ethyl-2-[6-(6-ethyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;iron(2+);dichloride
CID 70015201
cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride
CID 70011501
6-pyrrolidin-1-yl-2-[6-(6-pyrrolidin-1-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;vanadium(2+);dichloride
CID 173243589
6-butyl-2-[6-(6-butyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;vanadium(2+);dichloride
CID 173243603
iron(2+);6-pentyl-2-[6-(6-pentyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride
CID 70014795
iron(3+);6-pentyl-2-[6-(6-pentyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride
CID 70013206
iron(3+);7-methoxy-2-[6-(7-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride
CID 70013919
2-propan-2-yl-3aH-benzimidazole
CID 53400241
2-tert-butyl-3aH-benzimidazole
CID 53405530
cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride
CID 70015207
1,4-bis(3aH-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 24870562

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole?
The IUPAC name of 2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole (CID 53422957) is 2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole.
What is the SMILES notation for 2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole?
The canonical SMILES for 2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole is C1=CC2=NC(c3cccc(C4=NC5C=CC=CC5=N4)n3)=NC2C=C1.
What is the InChIKey of 2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole?
The InChIKey is BGJLRKJVVGLPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-12,14H.
What are the key properties of 2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole?
2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole has a molecular weight of 311.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole is sourced from PubChem (CID 53422957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).