N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C17H19N3O3 — CID 18142638

IUPACN-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCC(NC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccco1
InChIInChI=1S/C17H19N3O3/c1-12(15-8-5-11-23-15)18-16(21)9-10-20-14-7-4-3-6-13(14)19(2)17(20)22/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)
InChIKeyJLCHLXLLYPJZSD-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.20
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 18142638) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID18142638
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCC(NC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccco1
InChIInChI=1S/C17H19N3O3/c1-12(15-8-5-11-23-15)18-16(21)9-10-20-14-7-4-3-6-13(14)19(2)17(20)22/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)
InChIKeyJLCHLXLLYPJZSD-UHFFFAOYSA-N
XLogP2.20
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46448670
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26238936
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 46449013
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478901
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 16591022
N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 119615322
N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 120828699
N-[(1S)-1-(furan-2-yl)ethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 39966737
methyl (2S)-2-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 18142239
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18142231

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 18142638) is N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is CC(NC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is JLCHLXLLYPJZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(15-8-5-11-23-15)18-16(21)9-10-20-14-7-4-3-6-13(14)19(2)17(20)22/h3-8,11-12H,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 313.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18142638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).