2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole

C21H14N6 — CID 11508555

IUPAC2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3nc4ccc(-c5ccc6nc[nH]c6c5)cc4[nH]3)nc2c1
InChIInChI=1S/C21H14N6/c1-2-4-16-15(3-1)24-20(25-16)21-26-17-8-6-13(10-19(17)27-21)12-5-7-14-18(9-12)23-11-22-14/h1-11H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyMESJYMSIOSDINH-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.65
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole

2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole (PubChem CID 11508555) has the molecular formula C21H14N6 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole
PubChem CID11508555
Molecular FormulaC21H14N6
Molecular Weight350.39 g/mol
Exact Mass350.13
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3nc4ccc(-c5ccc6nc[nH]c6c5)cc4[nH]3)nc2c1
InChIInChI=1S/C21H14N6/c1-2-4-16-15(3-1)24-20(25-16)21-26-17-8-6-13(10-19(17)27-21)12-5-7-14-18(9-12)23-11-22-14/h1-11H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyMESJYMSIOSDINH-UHFFFAOYSA-N
XLogP4.65
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
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
bis(1H-benzimidazole);hydrate
CID 23293238
bis(1H-benzimidazole);hydrochloride
CID 163717509
disilver;1H-benzimidazole
CID 21437015
1H-benzimidazole;manganese
CID 158140840
1H-benzimidazole;zinc
CID 162235320
2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
CID 76845877
2-(3H-benzimidazol-5-yl)phenol
CID 162260962

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole (CID 11508555) is 2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole is c1ccc2[nH]c(-c3nc4ccc(-c5ccc6nc[nH]c6c5)cc4[nH]3)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole?
The InChIKey is MESJYMSIOSDINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6/c1-2-4-16-15(3-1)24-20(25-16)21-26-17-8-6-13(10-19(17)27-21)12-5-7-14-18(9-12)23-11-22-14/h1-11H,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole?
2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole has a molecular weight of 350.39 g/mol, XLogP of 4.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 11508555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).