N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide

C22H20N4O3 — CID 129309585

IUPACN-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide
SMILESCn1c(Nc2cccc(OCc3ccccc3)c2)nc2cc(C(=O)NO)ccc21
InChIInChI=1S/C22H20N4O3/c1-26-20-11-10-16(21(27)25-28)12-19(20)24-22(26)23-17-8-5-9-18(13-17)29-14-15-6-3-2-4-7-15/h2-13,28H,14H2,1H3,(H,23,24)(H,25,27)
InChIKeyVUJJSCFDSHVNSU-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.01
Rot. Bonds6

About N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide

N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide (PubChem CID 129309585) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide
PubChem CID129309585
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide
SMILESCn1c(Nc2cccc(OCc3ccccc3)c2)nc2cc(C(=O)NO)ccc21
InChIInChI=1S/C22H20N4O3/c1-26-20-11-10-16(21(27)25-28)12-19(20)24-22(26)23-17-8-5-9-18(13-17)29-14-15-6-3-2-4-7-15/h2-13,28H,14H2,1H3,(H,23,24)(H,25,27)
InChIKeyVUJJSCFDSHVNSU-UHFFFAOYSA-N
XLogP4.01
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.01
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide (CID 129309585) is N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide is Cn1c(Nc2cccc(OCc3ccccc3)c2)nc2cc(C(=O)NO)ccc21.
What is the InChIKey of N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide?
The InChIKey is VUJJSCFDSHVNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-26-20-11-10-16(21(27)25-28)12-19(20)24-22(26)23-17-8-5-9-18(13-17)29-14-15-6-3-2-4-7-15/h2-13,28H,14H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide?
N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methyl-2-(3-phenylmethoxyanilino)benzimidazole-5-carboxamide is sourced from PubChem (CID 129309585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).