2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide

C19H20N4O2 — CID 75136988

IUPAC2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC(C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H20N4O2/c1-12(19-22-16-5-3-4-6-17(16)23-19)20-18(25)11-14-7-9-15(10-8-14)21-13(2)24/h3-10,12H,11H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyJKYFFZJCVSTZRT-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide

2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 75136988) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID75136988
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC(C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H20N4O2/c1-12(19-22-16-5-3-4-6-17(16)23-19)20-18(25)11-14-7-9-15(10-8-14)21-13(2)24/h3-10,12H,11H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyJKYFFZJCVSTZRT-UHFFFAOYSA-N
XLogP2.94
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 86988501
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592565
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide (CID 75136988) is 2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide is CC(=O)Nc1ccc(CC(=O)NC(C)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is JKYFFZJCVSTZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(19-22-16-5-3-4-6-17(16)23-19)20-18(25)11-14-7-9-15(10-8-14)21-13(2)24/h3-10,12H,11H2,1-2H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of 2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide?
2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 75136988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).