2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide

C19H22N4O2 — CID 23148423

IUPAC2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide
SMILESNC(CCc1nc2ccccc2n1CCc1ccccc1)C(=O)NO
InChIInChI=1S/C19H22N4O2/c20-15(19(24)22-25)10-11-18-21-16-8-4-5-9-17(16)23(18)13-12-14-6-2-1-3-7-14/h1-9,15,25H,10-13,20H2,(H,22,24)
InChIKeyIACJAHZCCYJWPO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.04
Rot. Bonds7

About 2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide

2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide (PubChem CID 23148423) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide.

Molecular Properties

Compound Name2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide
PubChem CID23148423
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide
SMILESNC(CCc1nc2ccccc2n1CCc1ccccc1)C(=O)NO
InChIInChI=1S/C19H22N4O2/c20-15(19(24)22-25)10-11-18-21-16-8-4-5-9-17(16)23(18)13-12-14-6-2-1-3-7-14/h1-9,15,25H,10-13,20H2,(H,22,24)
InChIKeyIACJAHZCCYJWPO-UHFFFAOYSA-N
XLogP2.04
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-hydroxy-4-(1-pentylbenzimidazol-2-yl)butanamide
CID 87750186
(2R)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87749531
(2S)-2-amino-4-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-hydroxybutanamide
CID 87751286
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764
2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide
CID 16969497
N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]formamide
CID 2992201
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
CID 16995695
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993525
2-(cyclohexylmethylamino)-N-hydroxy-4-(1-propylbenzimidazol-2-yl)butanamide
CID 23148274

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide?
The IUPAC name of 2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide (CID 23148423) is 2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide.
What is the SMILES notation for 2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide?
The canonical SMILES for 2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide is NC(CCc1nc2ccccc2n1CCc1ccccc1)C(=O)NO.
What is the InChIKey of 2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide?
The InChIKey is IACJAHZCCYJWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-15(19(24)22-25)10-11-18-21-16-8-4-5-9-17(16)23(18)13-12-14-6-2-1-3-7-14/h1-9,15,25H,10-13,20H2,(H,22,24).
What are the key properties of 2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide?
2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide has a molecular weight of 338.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hydroxy-4-[1-(2-phenylethyl)benzimidazol-2-yl]butanamide is sourced from PubChem (CID 23148423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).