2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide

C18H19N3O2 — CID 110785836

IUPAC2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2ccc3c(c2)ncn3C)c1
InChIInChI=1S/C18H19N3O2/c1-21-12-20-16-9-14(6-7-17(16)21)11-19-18(22)10-13-4-3-5-15(8-13)23-2/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyKBQOBANWQKUZKK-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.44
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide

2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide (PubChem CID 110785836) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
PubChem CID110785836
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2ccc3c(c2)ncn3C)c1
InChIInChI=1S/C18H19N3O2/c1-21-12-20-16-9-14(6-7-17(16)21)11-19-18(22)10-13-4-3-5-15(8-13)23-2/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyKBQOBANWQKUZKK-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
CID 110772965
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 155779109
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
N-hydroxy-4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]benzamide
CID 90480233
2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 53014032
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide (CID 110785836) is 2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide is COc1cccc(CC(=O)NCc2ccc3c(c2)ncn3C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide?
The InChIKey is KBQOBANWQKUZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21-12-20-16-9-14(6-7-17(16)21)11-19-18(22)10-13-4-3-5-15(8-13)23-2/h3-9,12H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide?
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 110785836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).