1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone

C23H20N2O2 — CID 118366528

IUPAC1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2c(COCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C23H20N2O2/c1-17(26)19-11-13-20(14-12-19)25-22-10-6-5-9-21(22)24-23(25)16-27-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyJZVPRBDMVWKJLG-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.94
Rot. Bonds6

About 1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone

1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone (PubChem CID 118366528) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone
PubChem CID118366528
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2c(COCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C23H20N2O2/c1-17(26)19-11-13-20(14-12-19)25-22-10-6-5-9-21(22)24-23(25)16-27-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyJZVPRBDMVWKJLG-UHFFFAOYSA-N
XLogP4.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid
CID 142995441
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
N-hydroxy-2-(1-phenylbenzimidazol-2-yl)acetamide
CID 3049623
acetic acid;phenylmethoxymethylbenzene
CID 175214238
benzyl (2S)-3-[1-(4-methylphenyl)benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 69246954
(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 23766408
2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole
CID 147266428
ethyl 2-[4-(2-ethylbenzimidazol-1-yl)phenyl]propanoate
CID 91163967
1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole
CID 18334686
benzyl 4-acetylbenzoate
CID 590101
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
CID 119913764
2-[[4-[2-methyl-3-(4-methylbenzoyl)indol-1-yl]phenyl]methoxy]acetic acid
CID 59430729

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone (CID 118366528) is 1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone is CC(=O)c1ccc(-n2c(COCc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone?
The InChIKey is JZVPRBDMVWKJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-17(26)19-11-13-20(14-12-19)25-22-10-6-5-9-21(22)24-23(25)16-27-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3.
What are the key properties of 1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone?
1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone has a molecular weight of 356.43 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone is sourced from PubChem (CID 118366528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).