N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide

C20H18N4O2 — CID 90551472

IUPACN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)Cn2cnc3ccccc32)cc1
InChIInChI=1S/C20H18N4O2/c1-15(25)23-17-10-8-16(9-11-17)5-4-12-21-20(26)13-24-14-22-18-6-2-3-7-19(18)24/h2-3,6-11,14H,12-13H2,1H3,(H,21,26)(H,23,25)
InChIKeyOJGXLFYOJPJWSD-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.16
Rot. Bonds4

About N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide

N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide (PubChem CID 90551472) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide
PubChem CID90551472
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(C#CCNC(=O)Cn2cnc3ccccc32)cc1
InChIInChI=1S/C20H18N4O2/c1-15(25)23-17-10-8-16(9-11-17)5-4-12-21-20(26)13-24-14-22-18-6-2-3-7-19(18)24/h2-3,6-11,14H,12-13H2,1H3,(H,21,26)(H,23,25)
InChIKeyOJGXLFYOJPJWSD-UHFFFAOYSA-N
XLogP2.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide
CID 90551196
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
[2-(4-cyanoanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 4257908
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2437108
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-pyridin-3-yloxyacetamide
CID 90551479
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-(benzenesulfonyl)propanamide
CID 90551701

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide?
The IUPAC name of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide (CID 90551472) is N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide?
The canonical SMILES for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide is CC(=O)Nc1ccc(C#CCNC(=O)Cn2cnc3ccccc32)cc1.
What is the InChIKey of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide?
The InChIKey is OJGXLFYOJPJWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-15(25)23-17-10-8-16(9-11-17)5-4-12-21-20(26)13-24-14-22-18-6-2-3-7-19(18)24/h2-3,6-11,14H,12-13H2,1H3,(H,21,26)(H,23,25).
What are the key properties of N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide?
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-(benzimidazol-1-yl)acetamide is sourced from PubChem (CID 90551472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).