6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole

C13H14N2 — CID 44593577

IUPAC6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESc1ccc(C2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C13H14N2/c1-2-4-10(5-3-1)11-6-7-12-13(8-11)15-9-14-12/h1-5,9,11H,6-8H2,(H,14,15)
InChIKeyFNAMNTIDTBOHMV-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.68
Rot. Bonds1

About 6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole

6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 44593577) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID44593577
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESc1ccc(C2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C13H14N2/c1-2-4-10(5-3-1)11-6-7-12-13(8-11)15-9-14-12/h1-5,9,11H,6-8H2,(H,14,15)
InChIKeyFNAMNTIDTBOHMV-UHFFFAOYSA-N
XLogP2.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole (CID 44593577) is 6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole is c1ccc(C2CCc3nc[nH]c3C2)cc1.
What is the InChIKey of 6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is FNAMNTIDTBOHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-4-10(5-3-1)11-6-7-12-13(8-11)15-9-14-12/h1-5,9,11H,6-8H2,(H,14,15).
What are the key properties of 6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole?
6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 198.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 44593577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).