2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole

C16H12N4 — CID 76845877

IUPAC2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(-c4ncc[nH]4)cc3)nc2c1
InChIInChI=1S/C16H12N4/c1-2-4-14-13(3-1)19-16(20-14)12-7-5-11(6-8-12)15-17-9-10-18-15/h1-10H,(H,17,18)(H,19,20)
InChIKeyBOZJRKXCOWYWEM-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.62
Rot. Bonds2

About 2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole

2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole (PubChem CID 76845877) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
PubChem CID76845877
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(-c4ncc[nH]4)cc3)nc2c1
InChIInChI=1S/C16H12N4/c1-2-4-14-13(3-1)19-16(20-14)12-7-5-11(6-8-12)15-17-9-10-18-15/h1-10H,(H,17,18)(H,19,20)
InChIKeyBOZJRKXCOWYWEM-UHFFFAOYSA-N
XLogP3.62
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole
CID 168553556
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole
CID 10410486
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole (CID 76845877) is 2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole is c1ccc2[nH]c(-c3ccc(-c4ncc[nH]4)cc3)nc2c1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole?
The InChIKey is BOZJRKXCOWYWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-4-14-13(3-1)19-16(20-14)12-7-5-11(6-8-12)15-17-9-10-18-15/h1-10H,(H,17,18)(H,19,20).
What are the key properties of 2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole?
2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole has a molecular weight of 260.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 76845877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).