N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide

C22H19FN4O — CID 49046518

IUPACN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NCc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C22H19FN4O/c23-18-6-2-1-5-17(18)10-12-22(28)25-14-16-9-11-21(24-13-16)27-15-26-19-7-3-4-8-20(19)27/h1-9,11,13,15H,10,12,14H2,(H,25,28)
InChIKeyIZUVGCBNBMTKHV-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.81
Rot. Bonds6

About N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide (PubChem CID 49046518) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
PubChem CID49046518
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NCc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C22H19FN4O/c23-18-6-2-1-5-17(18)10-12-22(28)25-14-16-9-11-21(24-13-16)27-15-26-19-7-3-4-8-20(19)27/h1-9,11,13,15H,10,12,14H2,(H,25,28)
InChIKeyIZUVGCBNBMTKHV-UHFFFAOYSA-N
XLogP3.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 49045941
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-4-ethoxybutanamide
CID 49046049
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide
CID 49046064
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-[benzyl(methyl)amino]acetamide
CID 49045784
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 49046400
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 49046801
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 49046358
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 49046752
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 49046652
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 49046325
1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide
CID 167979437
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 49046224

Frequently Asked Questions

What is the IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide (CID 49046518) is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide is O=C(CCc1ccccc1F)NCc1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is IZUVGCBNBMTKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-18-6-2-1-5-17(18)10-12-22(28)25-14-16-9-11-21(24-13-16)27-15-26-19-7-3-4-8-20(19)27/h1-9,11,13,15H,10,12,14H2,(H,25,28).
What are the key properties of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide?
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 374.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 49046518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).