4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide

C18H17N5O3 — CID 122437849

IUPAC4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
SMILESO=C1CN(Cc2nc3ccccc3[nH]2)Cc2cc(C(=O)NO)ccc2N1
InChIInChI=1S/C18H17N5O3/c24-17-10-23(9-16-19-14-3-1-2-4-15(14)20-16)8-12-7-11(18(25)22-26)5-6-13(12)21-17/h1-7,26H,8-10H2,(H,19,20)(H,21,24)(H,22,25)
InChIKeyTYUAKXIZEZYSCX-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.64
Rot. Bonds3

About 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide

4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide (PubChem CID 122437849) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
PubChem CID122437849
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
SMILESO=C1CN(Cc2nc3ccccc3[nH]2)Cc2cc(C(=O)NO)ccc2N1
InChIInChI=1S/C18H17N5O3/c24-17-10-23(9-16-19-14-3-1-2-4-15(14)20-16)8-12-7-11(18(25)22-26)5-6-13(12)21-17/h1-7,26H,8-10H2,(H,19,20)(H,21,24)(H,22,25)
InChIKeyTYUAKXIZEZYSCX-UHFFFAOYSA-N
XLogP1.64
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.64
H-Bond Donors ≤ 54
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'}

Analyze 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide with MolForge

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Related Compounds

4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
CID 122438301
N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18105228
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 30248954
2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-4-(2-methoxyethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
CID 54356220
2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-1-phenylethanone;oxalic acid
CID 71780693
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-benzimidazole-2-carboxamide
CID 140978353
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 143699929
(4S)-8-(1H-benzimidazol-2-ylmethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124846890
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
4-[(3S)-1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 95729737

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide (CID 122437849) is 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide is O=C1CN(Cc2nc3ccccc3[nH]2)Cc2cc(C(=O)NO)ccc2N1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The InChIKey is TYUAKXIZEZYSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-17-10-23(9-16-19-14-3-1-2-4-15(14)20-16)8-12-7-11(18(25)22-26)5-6-13(12)21-17/h1-7,26H,8-10H2,(H,19,20)(H,21,24)(H,22,25).
What are the key properties of 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide is sourced from PubChem (CID 122437849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).