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

C14H10N4 — CID 67657705

IUPAC1-(3H-benzimidazol-5-yl)benzimidazole
SMILESc1ccc2c(c1)ncn2-c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H10N4/c1-2-4-14-12(3-1)17-9-18(14)10-5-6-11-13(7-10)16-8-15-11/h1-9H,(H,15,16)
InChIKeySLMZHPCLXYBXIM-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.90
Rot. Bonds1

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

1-(3H-benzimidazol-5-yl)benzimidazole (PubChem CID 67657705) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)benzimidazole.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)benzimidazole
PubChem CID67657705
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name1-(3H-benzimidazol-5-yl)benzimidazole
SMILESc1ccc2c(c1)ncn2-c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H10N4/c1-2-4-14-12(3-1)17-9-18(14)10-5-6-11-13(7-10)16-8-15-11/h1-9H,(H,15,16)
InChIKeySLMZHPCLXYBXIM-UHFFFAOYSA-N
XLogP2.90
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-benzimidazole;1-(3-bromophenyl)benzimidazole;1,3-dibromobenzene
CID 162220915
1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole
CID 126669613
1H-benzimidazole;3-(benzimidazol-1-yl)aniline;3-iodoaniline
CID 159783352
5-(3H-benzimidazol-5-yl)-1-pyridin-4-ylbenzimidazole
CID 154145940
1-(3H-benzimidazol-5-yl)-8-phenylimidazo[4,5-c][1,7]naphthyridine
CID 134139857
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577
CID 149192166
CID 149192166
2-amino-4-(benzimidazol-1-yl)phenol
CID 118185058
2-(benzimidazol-1-yl)-7H-purine
CID 57430843
1H-benzimidazole;4-(benzimidazol-1-yl)benzoic acid;methyl 4-fluorobenzoate
CID 159419098
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
5-(benzimidazol-1-yl)-2-nitroaniline
CID 10354943

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)benzimidazole?
The IUPAC name of 1-(3H-benzimidazol-5-yl)benzimidazole (CID 67657705) is 1-(3H-benzimidazol-5-yl)benzimidazole.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)benzimidazole?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)benzimidazole is c1ccc2c(c1)ncn2-c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)benzimidazole?
The InChIKey is SLMZHPCLXYBXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-2-4-14-12(3-1)17-9-18(14)10-5-6-11-13(7-10)16-8-15-11/h1-9H,(H,15,16).
What are the key properties of 1-(3H-benzimidazol-5-yl)benzimidazole?
1-(3H-benzimidazol-5-yl)benzimidazole has a molecular weight of 234.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)benzimidazole is sourced from PubChem (CID 67657705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).