N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

C21H24BrN3O2 — CID 18277506

IUPACN-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCC(NC(=O)CCn1c(=O)n(CC)c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C21H24BrN3O2/c1-3-17(15-9-11-16(22)12-10-15)23-20(26)13-14-25-19-8-6-5-7-18(19)24(4-2)21(25)27/h5-12,17H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyUEGKYCVFLQOBEZ-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.24
Rot. Bonds7

About N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 18277506) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID18277506
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC NameN-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCC(NC(=O)CCn1c(=O)n(CC)c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C21H24BrN3O2/c1-3-17(15-9-11-16(22)12-10-15)23-20(26)13-14-25-19-8-6-5-7-18(19)24(4-2)21(25)27/h5-12,17H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyUEGKYCVFLQOBEZ-UHFFFAOYSA-N
XLogP4.24
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115505
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
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N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18131666
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 55866691
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 27781697
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 55732676
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-bromophenyl)propyl]propanamide
CID 46418106
N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (CID 18277506) is N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is CCC(NC(=O)CCn1c(=O)n(CC)c2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is UEGKYCVFLQOBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-3-17(15-9-11-16(22)12-10-15)23-20(26)13-14-25-19-8-6-5-7-18(19)24(4-2)21(25)27/h5-12,17H,3-4,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 430.35 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18277506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).