2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide

C23H22N4O2 — CID 25346259

IUPAC2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccnc1
InChIInChI=1S/C23H22N4O2/c1-17(18-8-7-13-24-14-18)25-23(28)15-27-21-12-6-5-11-20(21)26-22(27)16-29-19-9-3-2-4-10-19/h2-14,17H,15-16H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyXCDZMGXGTCZPDA-KRWDZBQOSA-N
MW386.46 g/mol
LogP3.89
Rot. Bonds7

About 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide

2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide (PubChem CID 25346259) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide
PubChem CID25346259
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccnc1
InChIInChI=1S/C23H22N4O2/c1-17(18-8-7-13-24-14-18)25-23(28)15-27-21-12-6-5-11-20(21)26-22(27)16-29-19-9-3-2-4-10-19/h2-14,17H,15-16H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyXCDZMGXGTCZPDA-KRWDZBQOSA-N
XLogP3.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 55717842
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17028848
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031896
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119586379
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
CID 119213222
2-(2-methylindol-1-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 51239093
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17032419

Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide (CID 25346259) is 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide is C[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccnc1.
What is the InChIKey of 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The InChIKey is XCDZMGXGTCZPDA-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-17(18-8-7-13-24-14-18)25-23(28)15-27-21-12-6-5-11-20(21)26-22(27)16-29-19-9-3-2-4-10-19/h2-14,17H,15-16H2,1H3,(H,25,28)/t17-/m0/s1.
What are the key properties of 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 25346259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).