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

C21H24ClN3O2 — CID 134031322

IUPACN-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC(C)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C21H24ClN3O2/c1-3-12-24-18-9-4-5-10-19(18)25(21(24)27)13-11-20(26)23-15(2)16-7-6-8-17(22)14-16/h4-10,14-15H,3,11-13H2,1-2H3,(H,23,26)
InChIKeyCHKQUOAHWMMAGH-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.13
Rot. Bonds7

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

N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 134031322) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID134031322
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC(C)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C21H24ClN3O2/c1-3-12-24-18-9-4-5-10-19(18)25(21(24)27)13-11-20(26)23-15(2)16-7-6-8-17(22)14-16/h4-10,14-15H,3,11-13H2,1-2H3,(H,23,26)
InChIKeyCHKQUOAHWMMAGH-UHFFFAOYSA-N
XLogP4.13
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 55713351
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 46470808
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 9181609
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478901
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46448670
N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4789308
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 55866691
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031392
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134056639
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18116505
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 134031322) is N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)NC(C)c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is CHKQUOAHWMMAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-3-12-24-18-9-4-5-10-19(18)25(21(24)27)13-11-20(26)23-15(2)16-7-6-8-17(22)14-16/h4-10,14-15H,3,11-13H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 385.90 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 134031322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).