N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide

C16H18N4O3 — CID 170013876

IUPACN-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide
SMILESO=C(NO)C1=CCC(Nc2nc3ccccc3n2CCO)C=C1
InChIInChI=1S/C16H18N4O3/c21-10-9-20-14-4-2-1-3-13(14)18-16(20)17-12-7-5-11(6-8-12)15(22)19-23/h1-7,12,21,23H,8-10H2,(H,17,18)(H,19,22)
InChIKeyBVZNOYYTJFXBDQ-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.20
Rot. Bonds5

About N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide

N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 170013876) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide
PubChem CID170013876
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide
SMILESO=C(NO)C1=CCC(Nc2nc3ccccc3n2CCO)C=C1
InChIInChI=1S/C16H18N4O3/c21-10-9-20-14-4-2-1-3-13(14)18-16(20)17-12-7-5-11(6-8-12)15(22)19-23/h1-7,12,21,23H,8-10H2,(H,17,18)(H,19,22)
InChIKeyBVZNOYYTJFXBDQ-UHFFFAOYSA-N
XLogP1.20
TPSA99.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 137378369
2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol
CID 115144095
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
CID 82359483
2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol
CID 115144119
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
methyl 1-[1-(2-hydroxyethyl)benzimidazol-2-yl]cyclopropane-1-carboxylate
CID 79734378
2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
CID 43831374
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
4-[2-(methylamino)benzimidazol-1-yl]butan-2-one
CID 82359502

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide (CID 170013876) is N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide is O=C(NO)C1=CCC(Nc2nc3ccccc3n2CCO)C=C1.
What is the InChIKey of N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is BVZNOYYTJFXBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-10-9-20-14-4-2-1-3-13(14)18-16(20)17-12-7-5-11(6-8-12)15(22)19-23/h1-7,12,21,23H,8-10H2,(H,17,18)(H,19,22).
What are the key properties of N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide?
N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 170013876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).