2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide

C19H21N3O2 — CID 17028848

IUPAC2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
SMILESCOCc1nc2ccccc2n1CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14(15-8-4-3-5-9-15)20-19(23)12-22-17-11-7-6-10-16(17)21-18(22)13-24-2/h3-11,14H,12-13H2,1-2H3,(H,20,23)
InChIKeyKEPKVHGGCTWJJV-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.06
Rot. Bonds6

About 2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide

2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 17028848) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID17028848
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
SMILESCOCc1nc2ccccc2n1CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14(15-8-4-3-5-9-15)20-19(23)12-22-17-11-7-6-10-16(17)21-18(22)13-24-2/h3-11,14H,12-13H2,1-2H3,(H,20,23)
InChIKeyKEPKVHGGCTWJJV-UHFFFAOYSA-N
XLogP3.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031896
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031181
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 25346259
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17032419
N-[2-[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030691
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110882950
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033004
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
methyl 2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]-2-phenylacetate
CID 60609912
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34392337
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide (CID 17028848) is 2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide is COCc1nc2ccccc2n1CC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is KEPKVHGGCTWJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(15-8-4-3-5-9-15)20-19(23)12-22-17-11-7-6-10-16(17)21-18(22)13-24-2/h3-11,14H,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 17028848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).