N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

C20H22ClFN4O — CID 91775402

IUPACN-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
SMILESCN(C)C(C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN4O/c1-26(2)19(13-5-8-15(22)9-6-13)20(27)23-11-3-4-18-24-16-10-7-14(21)12-17(16)25-18/h5-10,12,19H,3-4,11H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyPJGQFOSPVJFWDF-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.71
Rot. Bonds7

About N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide (PubChem CID 91775402) has the molecular formula C20H22ClFN4O and a molecular weight of 388.87 g/mol. Its IUPAC name is N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
PubChem CID91775402
Molecular FormulaC20H22ClFN4O
Molecular Weight388.87 g/mol
Exact Mass388.15
IUPAC NameN-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
SMILESCN(C)C(C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN4O/c1-26(2)19(13-5-8-15(22)9-6-13)20(27)23-11-3-4-18-24-16-10-7-14(21)12-17(16)25-18/h5-10,12,19H,3-4,11H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyPJGQFOSPVJFWDF-UHFFFAOYSA-N
XLogP3.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90650123
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide
CID 51688226
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride
CID 154909809
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 77092358
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 131903948
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91786223
(2R)-2-amino-N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 154912209
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]acetamide
CID 166618219
(2S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 125165861
2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089678

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide (CID 91775402) is N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide is CN(C)C(C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The InChIKey is PJGQFOSPVJFWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O/c1-26(2)19(13-5-8-15(22)9-6-13)20(27)23-11-3-4-18-24-16-10-7-14(21)12-17(16)25-18/h5-10,12,19H,3-4,11H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide has a molecular weight of 388.87 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-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 91775402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).