N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide

C25H25N5O2 — CID 87288110

IUPACN'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide
SMILESN/C(=N\O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C25H25N5O2/c26-25(28-31)19-8-9-24-23(15-19)27-17-30(24)21-6-3-5-18(14-21)22-7-2-1-4-20(22)16-29-10-12-32-13-11-29/h1-9,14-15,17,31H,10-13,16H2,(H2,26,28)
InChIKeyNDMGYBPJVDKCBF-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.62
Rot. Bonds5

About N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide

N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide (PubChem CID 87288110) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide
PubChem CID87288110
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide
SMILESN/C(=N\O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C25H25N5O2/c26-25(28-31)19-8-9-24-23(15-19)27-17-30(24)21-6-3-5-18(14-21)22-7-2-1-4-20(22)16-29-10-12-32-13-11-29/h1-9,14-15,17,31H,10-13,16H2,(H2,26,28)
InChIKeyNDMGYBPJVDKCBF-UHFFFAOYSA-N
XLogP3.62
TPSA88.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-ethylphenyl)phenyl]-N'-hydroxybenzimidazole-5-carboximidamide
CID 91432292
(1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol
CID 67152234
N-[[1-[3-(2-ethylphenyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine
CID 87288205
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine
CID 29185404
2-[2-(morpholin-4-ylmethyl)phenyl]pyridine-4-carboxamide
CID 50967003
2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol
CID 67152305
(1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol
CID 67152175
N-ethoxy-1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-5-yl]ethanimine
CID 87417036
1-[3-(aminomethyl)phenyl]-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]imidazo[4,5-c]pyridin-7-ol
CID 91556230
3-methyl-6-[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid
CID 85469018
1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine
CID 164968478

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide (CID 87288110) is N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide is N/C(=N\O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2CN2CCOCC2)c1.
What is the InChIKey of N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide?
The InChIKey is NDMGYBPJVDKCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c26-25(28-31)19-8-9-24-23(15-19)27-17-30(24)21-6-3-5-18(14-21)22-7-2-1-4-20(22)16-29-10-12-32-13-11-29/h1-9,14-15,17,31H,10-13,16H2,(H2,26,28).
What are the key properties of N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide?
N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide has a molecular weight of 427.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-5-carboximidamide is sourced from PubChem (CID 87288110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).