N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide

C22H24FN3O2 — CID 51593462

IUPACN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide
SMILESC[C@@H]1Cc2cc(CCC(=O)NCCCc3nc4ccc(F)cc4[nH]3)ccc2O1
InChIInChI=1S/C22H24FN3O2/c1-14-11-16-12-15(4-8-20(16)28-14)5-9-22(27)24-10-2-3-21-25-18-7-6-17(23)13-19(18)26-21/h4,6-8,12-14H,2-3,5,9-11H2,1H3,(H,24,27)(H,25,26)/t14-/m1/s1
InChIKeyAWWPCMBCWDDEFE-CQSZACIVSA-N
MW381.45 g/mol
LogP3.71
Rot. Bonds7

About N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide (PubChem CID 51593462) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide
PubChem CID51593462
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide
SMILESC[C@@H]1Cc2cc(CCC(=O)NCCCc3nc4ccc(F)cc4[nH]3)ccc2O1
InChIInChI=1S/C22H24FN3O2/c1-14-11-16-12-15(4-8-20(16)28-14)5-9-22(27)24-10-2-3-21-25-18-7-6-17(23)13-19(18)26-21/h4,6-8,12-14H,2-3,5,9-11H2,1H3,(H,24,27)(H,25,26)/t14-/m1/s1
InChIKeyAWWPCMBCWDDEFE-CQSZACIVSA-N
XLogP3.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90650123
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90653183
(3R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]oxolane-3-carboxamide
CID 125179191
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125175720
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide
CID 50948697
3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 51593466
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
(1R,2R,4R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 46972732
2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 118775456

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide?
The IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide (CID 51593462) is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide.
What is the SMILES notation for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide?
The canonical SMILES for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide is C[C@@H]1Cc2cc(CCC(=O)NCCCc3nc4ccc(F)cc4[nH]3)ccc2O1.
What is the InChIKey of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide?
The InChIKey is AWWPCMBCWDDEFE-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-14-11-16-12-15(4-8-20(16)28-14)5-9-22(27)24-10-2-3-21-25-18-7-6-17(23)13-19(18)26-21/h4,6-8,12-14H,2-3,5,9-11H2,1H3,(H,24,27)(H,25,26)/t14-/m1/s1.
What are the key properties of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide?
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide has a molecular weight of 381.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide is sourced from PubChem (CID 51593462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).