1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole

C17H16N4 — CID 82248362

IUPAC1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole
SMILESc1cc(Cn2cnc3ccccc32)cc(C2=NCCN2)c1
InChIInChI=1S/C17H16N4/c1-2-7-16-15(6-1)20-12-21(16)11-13-4-3-5-14(10-13)17-18-8-9-19-17/h1-7,10,12H,8-9,11H2,(H,18,19)
InChIKeyFVFKUAPYMGZDSW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.43
Rot. Bonds3

About 1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole

1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole (PubChem CID 82248362) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole
PubChem CID82248362
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole
SMILESc1cc(Cn2cnc3ccccc32)cc(C2=NCCN2)c1
InChIInChI=1S/C17H16N4/c1-2-7-16-15(6-1)20-12-21(16)11-13-4-3-5-14(10-13)17-18-8-9-19-17/h1-7,10,12H,8-9,11H2,(H,18,19)
InChIKeyFVFKUAPYMGZDSW-UHFFFAOYSA-N
XLogP2.43
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole?
The IUPAC name of 1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole (CID 82248362) is 1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole.
What is the SMILES notation for 1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole?
The canonical SMILES for 1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole is c1cc(Cn2cnc3ccccc32)cc(C2=NCCN2)c1.
What is the InChIKey of 1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole?
The InChIKey is FVFKUAPYMGZDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-7-16-15(6-1)20-12-21(16)11-13-4-3-5-14(10-13)17-18-8-9-19-17/h1-7,10,12H,8-9,11H2,(H,18,19).
What are the key properties of 1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole?
1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole has a molecular weight of 276.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole is sourced from PubChem (CID 82248362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).