N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide

C16H14N4O2 — CID 146582267

IUPACN-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(c1ccc3[nH]ccc3c1)N2
InChIInChI=1S/C16H14N4O2/c21-16(20-22)11-2-4-13-14(8-11)19-15(18-13)10-1-3-12-9(7-10)5-6-17-12/h1-8,15,17-19,22H,(H,20,21)
InChIKeyRHRFCMVBUZKVNG-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.82
Rot. Bonds2

About N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide

N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide (PubChem CID 146582267) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide
PubChem CID146582267
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(c1ccc3[nH]ccc3c1)N2
InChIInChI=1S/C16H14N4O2/c21-16(20-22)11-2-4-13-14(8-11)19-15(18-13)10-1-3-12-9(7-10)5-6-17-12/h1-8,15,17-19,22H,(H,20,21)
InChIKeyRHRFCMVBUZKVNG-UHFFFAOYSA-N
XLogP2.82
TPSA89.18 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide
CID 55257824
N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide
CID 63718442
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide
CID 63718087
N-(1H-indol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61250452
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide
CID 71921863
N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide
CID 112521790
N-(2,3-dihydro-1H-inden-2-yl)-1H-indole-5-carboxamide
CID 91395500
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide (CID 146582267) is N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide is O=C(NO)c1ccc2c(c1)NC(c1ccc3[nH]ccc3c1)N2.
What is the InChIKey of N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide?
The InChIKey is RHRFCMVBUZKVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(20-22)11-2-4-13-14(8-11)19-15(18-13)10-1-3-12-9(7-10)5-6-17-12/h1-8,15,17-19,22H,(H,20,21).
What are the key properties of N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide?
N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(1H-indol-5-yl)-2,3-dihydro-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 146582267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).