N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C20H22ClN3O2 — CID 18114716

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NCCc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-2-12-23-17-8-3-4-9-18(17)24(20(23)26)14-19(25)22-11-10-15-6-5-7-16(21)13-15/h3-9,13H,2,10-12,14H2,1H3,(H,22,25)
InChIKeyMKFJRQQRMRWREL-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.23
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 18114716) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID18114716
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NCCc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-2-12-23-17-8-3-4-9-18(17)24(20(23)26)14-19(25)22-11-10-15-6-5-7-16(21)13-15/h3-9,13H,2,10-12,14H2,1H3,(H,22,25)
InChIKeyMKFJRQQRMRWREL-UHFFFAOYSA-N
XLogP3.23
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 18100521
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46522071
N-[2-(4-aminophenyl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 119548641
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 16577145
N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031322
N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29304202
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 46259328

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 18114716) is N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)NCCc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is MKFJRQQRMRWREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-12-23-17-8-3-4-9-18(17)24(20(23)26)14-19(25)22-11-10-15-6-5-7-16(21)13-15/h3-9,13H,2,10-12,14H2,1H3,(H,22,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 371.87 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 18114716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).