1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole

C20H18N4 — CID 66648186

IUPAC1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole
SMILESc1ccc(N2CNc3ccccc32)cc1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C13H12N2.C7H6N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-2-4-7-6(3-1)8-5-9-7/h1-9,14H,10H2;1-5H,(H,8,9)
InChIKeyVWOCINIWWUJZNL-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.77
Rot. Bonds1

About 1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole

1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole (PubChem CID 66648186) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole
PubChem CID66648186
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole
SMILESc1ccc(N2CNc3ccccc32)cc1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C13H12N2.C7H6N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-2-4-7-6(3-1)8-5-9-7/h1-9,14H,10H2;1-5H,(H,8,9)
InChIKeyVWOCINIWWUJZNL-UHFFFAOYSA-N
XLogP4.77
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole?
The IUPAC name of 1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole (CID 66648186) is 1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole?
The canonical SMILES for 1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole is c1ccc(N2CNc3ccccc32)cc1.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole?
The InChIKey is VWOCINIWWUJZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.C7H6N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-2-4-7-6(3-1)8-5-9-7/h1-9,14H,10H2;1-5H,(H,8,9).
What are the key properties of 1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole?
1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole has a molecular weight of 314.39 g/mol, XLogP of 4.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 66648186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).