N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine

C21H24N4O — CID 149197235

IUPACN-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine
SMILESC=C(NO)c1ccc(Nc2nc3ccccc3n2C2CCCCC2)cc1
InChIInChI=1S/C21H24N4O/c1-15(24-26)16-11-13-17(14-12-16)22-21-23-19-9-5-6-10-20(19)25(21)18-7-3-2-4-8-18/h5-6,9-14,18,24,26H,1-4,7-8H2,(H,22,23)
InChIKeyXDZOKHCQLYVOPM-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.23
Rot. Bonds5

About N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine

N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine (PubChem CID 149197235) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine
PubChem CID149197235
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine
SMILESC=C(NO)c1ccc(Nc2nc3ccccc3n2C2CCCCC2)cc1
InChIInChI=1S/C21H24N4O/c1-15(24-26)16-11-13-17(14-12-16)22-21-23-19-9-5-6-10-20(19)25(21)18-7-3-2-4-8-18/h5-6,9-14,18,24,26H,1-4,7-8H2,(H,22,23)
InChIKeyXDZOKHCQLYVOPM-UHFFFAOYSA-N
XLogP5.23
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide
CID 73051603
methyl 4-[[1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-yl]amino]benzoate
CID 137447038
4-[(1-cyclobutylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[(1-cyclopentylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide;N-hydroxy-4-[(1-methylbenzimidazol-2-yl)amino]benzamide;N-hydroxy-4-[(1-propan-2-ylbenzimidazol-2-yl)amino]benzamide
CID 158166731
4-[(1-cyclopentylbenzimidazol-2-yl)amino]-3-methoxy-N-methylbenzamide
CID 73051604
4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 137378369
2-(4-acetamidophenyl)-N-(1-cyclopentylbenzimidazol-2-yl)acetamide
CID 136527419
4-(aminomethyl)-N-(1-cyclopentylbenzimidazol-2-yl)benzamide;hydrochloride
CID 119332720
1-[(1R,3R)-3-methylcyclohexyl]-N-(4-propan-2-yloxyphenyl)benzimidazol-2-amine
CID 118311039
1-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
1-[(1S,3R)-3-methylcyclohexyl]-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine
CID 118311083
N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 47078417
N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 52655634

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine?
The IUPAC name of N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine (CID 149197235) is N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine.
What is the SMILES notation for N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine?
The canonical SMILES for N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine is C=C(NO)c1ccc(Nc2nc3ccccc3n2C2CCCCC2)cc1.
What is the InChIKey of N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine?
The InChIKey is XDZOKHCQLYVOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(24-26)16-11-13-17(14-12-16)22-21-23-19-9-5-6-10-20(19)25(21)18-7-3-2-4-8-18/h5-6,9-14,18,24,26H,1-4,7-8H2,(H,22,23).
What are the key properties of N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine?
N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine has a molecular weight of 348.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine is sourced from PubChem (CID 149197235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).