N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

C20H23FN4O — CID 119851641

IUPACN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(Cn1cnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O/c1-14(11-22-2)20(26)24-18(15-7-9-16(21)10-8-15)12-25-13-23-17-5-3-4-6-19(17)25/h3-10,13-14,18,22H,11-12H2,1-2H3,(H,24,26)
InChIKeyMBRFEAXISPIXJS-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.89
Rot. Bonds7

About N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119851641) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119851641
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(Cn1cnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O/c1-14(11-22-2)20(26)24-18(15-7-9-16(21)10-8-15)12-25-13-23-17-5-3-4-6-19(17)25/h3-10,13-14,18,22H,11-12H2,1-2H3,(H,24,26)
InChIKeyMBRFEAXISPIXJS-UHFFFAOYSA-N
XLogP2.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (CID 119851641) is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC(Cn1cnc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is MBRFEAXISPIXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-14(11-22-2)20(26)24-18(15-7-9-16(21)10-8-15)12-25-13-23-17-5-3-4-6-19(17)25/h3-10,13-14,18,22H,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 354.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119851641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).