1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone

C17H16N2O2 — CID 79755499

IUPAC1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCOc1ccccc1C(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H16N2O2/c1-19-14-9-5-4-8-13(14)18-17(19)11-15(20)12-7-3-6-10-16(12)21-2/h3-10H,11H2,1-2H3
InChIKeyPWCHHUAQHHSLJS-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.01
Rot. Bonds4

About 1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone

1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone (PubChem CID 79755499) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
PubChem CID79755499
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCOc1ccccc1C(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H16N2O2/c1-19-14-9-5-4-8-13(14)18-17(19)11-15(20)12-7-3-6-10-16(12)21-2/h3-10H,11H2,1-2H3
InChIKeyPWCHHUAQHHSLJS-UHFFFAOYSA-N
XLogP3.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
1-(3-bromo-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 107957238
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79754091
2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
CID 82896028
2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115782583
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18282815
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
CID 711826
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570
3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634750
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone (CID 79755499) is 1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone is COc1ccccc1C(=O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The InChIKey is PWCHHUAQHHSLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19-14-9-5-4-8-13(14)18-17(19)11-15(20)12-7-3-6-10-16(12)21-2/h3-10H,11H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone has a molecular weight of 280.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 79755499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).