1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone

C21H16N2O2 — CID 13162273

IUPAC1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H16N2O2/c24-20(21-22-18-8-4-5-9-19(18)23-21)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyVETFMBSFLAVTEV-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.37
Rot. Bonds5

About 1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone

1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone (PubChem CID 13162273) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone
PubChem CID13162273
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H16N2O2/c24-20(21-22-18-8-4-5-9-19(18)23-21)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyVETFMBSFLAVTEV-UHFFFAOYSA-N
XLogP4.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
(6-hydroxy-1H-benzimidazol-2-yl)-phenylmethanone
CID 13162244
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281
(1S)-1-(1H-benzimidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethanamine;2,2,2-trifluoroacetic acid
CID 171925772
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
4-(1H-benzimidazol-2-ylmethoxy)benzamide
CID 142600756
4-phenylmethoxybenzoic acid
CID 68896574
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 59327005
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 59326975

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of 1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone (CID 13162273) is 1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone is O=C(c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone?
The InChIKey is VETFMBSFLAVTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-20(21-22-18-8-4-5-9-19(18)23-21)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23).
What are the key properties of 1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone?
1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone has a molecular weight of 328.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 13162273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).