N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide

C22H23N3O2 — CID 135881485

IUPACN-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(CC2CCCCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H23N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h2,5-8,11-14,16,27H,1,3-4,9-10,15H2/b24-23+
InChIKeyUTCMVXRMYYFCMH-WCWDXBQESA-N
MW361.44 g/mol
LogP5.85
Rot. Bonds4

About N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide

N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide (PubChem CID 135881485) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide
PubChem CID135881485
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(CC2CCCCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H23N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h2,5-8,11-14,16,27H,1,3-4,9-10,15H2/b24-23+
InChIKeyUTCMVXRMYYFCMH-WCWDXBQESA-N
XLogP5.85
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
CID 135743701
Bzo-poxizid
CID 2691386
1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
4-({2-benzoyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-9-yl}methyl)phenol
CID 6539934
(3E)-3-(2-oxo-1H-indol-3-ylidene)-1-prop-2-enylindol-2-one
CID 974921
2(4-Benzyl-1-piperazinyl)N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide
CID 1034069
1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
Indole benzamide 18
CID 6539933
4-((5-Fluoro-3-(hydroxyimino)-2-oxoindolin-1-yl)methyl)-N-hydroxybenzamide (6b)
CID 137224532
(3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enylindol-2-one
CID 135857069
2-(3-Hydrazono-2-oxo-2,3-dihydro-indol-1-yl)-N-phenyl-acetamide
CID 678592
(E)-N'-(1-methyl-2-oxoindolin-3-ylidene)-2-(p-tolylamino)acetohydrazide
CID 773026

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide (CID 135881485) is N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide is O=C(/N=N/c1c(O)n(CC2CCCCC2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide?
The InChIKey is UTCMVXRMYYFCMH-WCWDXBQESA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h2,5-8,11-14,16,27H,1,3-4,9-10,15H2/b24-23+.
What are the key properties of N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide?
N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide has a molecular weight of 361.44 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide is sourced from PubChem (CID 135881485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).