N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide

C19H21N3O3 — CID 11382208

IUPACN-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)nc(CCc1ccccc1)n2CCCO
InChIInChI=1S/C19H21N3O3/c23-12-4-11-22-17-9-8-15(19(24)21-25)13-16(17)20-18(22)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,23,25H,4,7,10-12H2,(H,21,24)
InChIKeyGVDINOVHHJJJDD-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.32
Rot. Bonds7

About N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide

N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide (PubChem CID 11382208) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide
PubChem CID11382208
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)nc(CCc1ccccc1)n2CCCO
InChIInChI=1S/C19H21N3O3/c23-12-4-11-22-17-9-8-15(19(24)21-25)13-16(17)20-18(22)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,23,25H,4,7,10-12H2,(H,21,24)
InChIKeyGVDINOVHHJJJDD-UHFFFAOYSA-N
XLogP2.32
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.32
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

3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol
CID 43912233
2-(hydroxymethyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxylic acid
CID 46308423
N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide
CID 129309588
N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
CID 71815611
2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 177372410
(E)-N-hydroxy-3-[2-(2-phenylethyl)-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-yl]prop-2-enamide
CID 11452842
N-hydroxy-3-[1-(3-hydroxypropyl)-2-(phenylmethoxymethyl)benzimidazol-5-yl]prop-2-enamide
CID 72757507
3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063143
N-hydroxy-2-(2-phenylethyl)indazole-6-carboxamide
CID 169188075
3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16983344
4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984758
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide (CID 11382208) is N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide is O=C(NO)c1ccc2c(c1)nc(CCc1ccccc1)n2CCCO.
What is the InChIKey of N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide?
The InChIKey is GVDINOVHHJJJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-12-4-11-22-17-9-8-15(19(24)21-25)13-16(17)20-18(22)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,23,25H,4,7,10-12H2,(H,21,24).
What are the key properties of N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide?
N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 11382208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).