N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

C24H22FN5O2S — CID 18685925

IUPACN-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(NC(CSc1ccccc1)C(=O)NCCF)c1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C24H22FN5O2S/c25-10-13-27-24(32)21(15-33-18-4-2-1-3-5-18)30-23(31)17-6-7-19-20(14-17)29-22(28-19)16-8-11-26-12-9-16/h1-9,11-12,14,21H,10,13,15H2,(H,27,32)(H,28,29)(H,30,31)
InChIKeyILOCRVKNJZBXKM-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.60
Rot. Bonds9

About N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (PubChem CID 18685925) has the molecular formula C24H22FN5O2S and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
PubChem CID18685925
Molecular FormulaC24H22FN5O2S
Molecular Weight463.54 g/mol
Exact Mass463.15
IUPAC NameN-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(NC(CSc1ccccc1)C(=O)NCCF)c1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C24H22FN5O2S/c25-10-13-27-24(32)21(15-33-18-4-2-1-3-5-18)30-23(31)17-6-7-19-20(14-17)29-22(28-19)16-8-11-26-12-9-16/h1-9,11-12,14,21H,10,13,15H2,(H,27,32)(H,28,29)(H,30,31)
InChIKeyILOCRVKNJZBXKM-UHFFFAOYSA-N
XLogP3.60
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59879984
methyl 2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-3-pyrimidin-2-ylsulfanylpropanoate
CID 18685915
methyl 3-(benzenesulfinyl)-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoate
CID 18685918
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59880041
N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685998
N-(1-morpholin-4-yl-1-oxo-4-phenylbutan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18686016
N-[(2S)-1-morpholin-4-yl-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59880086
N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide
CID 69307077
N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685990
3-methyl-4-oxo-4-(2-pyridin-4-yl-3H-benzimidazol-5-yl)butanoic acid
CID 19827878
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685984

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (CID 18685925) is N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is O=C(NC(CSc1ccccc1)C(=O)NCCF)c1ccc2nc(-c3ccncc3)[nH]c2c1.
What is the InChIKey of N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is ILOCRVKNJZBXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2S/c25-10-13-27-24(32)21(15-33-18-4-2-1-3-5-18)30-23(31)17-6-7-19-20(14-17)29-22(28-19)16-8-11-26-12-9-16/h1-9,11-12,14,21H,10,13,15H2,(H,27,32)(H,28,29)(H,30,31).
What are the key properties of N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 18685925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).