N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide

C25H23N3O2 — CID 53382987

IUPACN-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1)n1c(-c2ccc3c(c2)CCO3)nc2ccccc21
InChIInChI=1S/C25H23N3O2/c1-17(25(29)26-16-18-7-3-2-4-8-18)28-22-10-6-5-9-21(22)27-24(28)20-11-12-23-19(15-20)13-14-30-23/h2-12,15,17H,13-14,16H2,1H3,(H,26,29)
InChIKeyLFPLSCOPXTUNNL-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.52
Rot. Bonds5

About N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide

N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide (PubChem CID 53382987) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide
PubChem CID53382987
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1)n1c(-c2ccc3c(c2)CCO3)nc2ccccc21
InChIInChI=1S/C25H23N3O2/c1-17(25(29)26-16-18-7-3-2-4-8-18)28-22-10-6-5-9-21(22)27-24(28)20-11-12-23-19(15-20)13-14-30-23/h2-12,15,17H,13-14,16H2,1H3,(H,26,29)
InChIKeyLFPLSCOPXTUNNL-UHFFFAOYSA-N
XLogP4.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]-4-methylsulfanylbutanamide
CID 53382999
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-benzylsulfanylbenzimidazol-1-yl)propanamide
CID 25330692
N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 134102969
N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3715694
(E,2S,3R)-N-benzyl-2-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenylpent-4-enamide
CID 164898975
2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988039
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]propanamide
CID 51066920
(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 1485402
N-benzyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284818
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86846813
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine
CID 61034297
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 49012669

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide (CID 53382987) is N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide is CC(C(=O)NCc1ccccc1)n1c(-c2ccc3c(c2)CCO3)nc2ccccc21.
What is the InChIKey of N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide?
The InChIKey is LFPLSCOPXTUNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17(25(29)26-16-18-7-3-2-4-8-18)28-22-10-6-5-9-21(22)27-24(28)20-11-12-23-19(15-20)13-14-30-23/h2-12,15,17H,13-14,16H2,1H3,(H,26,29).
What are the key properties of N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide?
N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 53382987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).