2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide

C17H17FN4O — CID 124701161

IUPAC2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide
SMILESNCC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O/c18-13-7-5-12(6-8-13)15(21-17(23)9-19)10-22-11-20-14-3-1-2-4-16(14)22/h1-8,11,15H,9-10,19H2,(H,21,23)/t15-/m1/s1
InChIKeyWTSDLMSHTFKRFF-OAHLLOKOSA-N
MW312.35 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide

2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 124701161) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID124701161
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide
SMILESNCC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O/c18-13-7-5-12(6-8-13)15(21-17(23)9-19)10-22-11-20-14-3-1-2-4-16(14)22/h1-8,11,15H,9-10,19H2,(H,21,23)/t15-/m1/s1
InChIKeyWTSDLMSHTFKRFF-OAHLLOKOSA-N
XLogP1.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
CID 71941395
N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]azetidine-1-carboxamide
CID 94103478
N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 86933208
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119851641
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55795660
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55795820
(2S,5R)-5-(aminomethyl)-N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 120798252
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 55795556
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55795679
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55795647
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 55806426
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889623

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide (CID 124701161) is 2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide is NCC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is WTSDLMSHTFKRFF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-13-7-5-12(6-8-13)15(21-17(23)9-19)10-22-11-20-14-3-1-2-4-16(14)22/h1-8,11,15H,9-10,19H2,(H,21,23)/t15-/m1/s1.
What are the key properties of 2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide?
2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 312.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 124701161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).