2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide

C18H19N3O — CID 51646878

IUPAC2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)Cn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-14(15-7-3-2-4-8-15)11-19-18(22)12-21-13-20-16-9-5-6-10-17(16)21/h2-10,13-14H,11-12H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyFDLLATHKVUTCBB-CQSZACIVSA-N
MW293.37 g/mol
LogP2.96
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide

2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 51646878) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID51646878
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)Cn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-14(15-7-3-2-4-8-15)11-19-18(22)12-21-13-20-16-9-5-6-10-17(16)21/h2-10,13-14H,11-12H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyFDLLATHKVUTCBB-CQSZACIVSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(benzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81064314
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456
(2S)-4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107833952
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(benzimidazol-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624784
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17086275
2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
CID 8823029
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 93060384
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 93053068

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide (CID 51646878) is 2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide is C[C@H](CNC(=O)Cn1cnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is FDLLATHKVUTCBB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(15-7-3-2-4-8-15)11-19-18(22)12-21-13-20-16-9-5-6-10-17(16)21/h2-10,13-14H,11-12H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide?
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 51646878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).