3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide

C24H22N4O2 — CID 136689088

IUPAC3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCn1c(Cc2ccccc2)nc2ccccc21)N/N=C\c1ccccc1O
InChIInChI=1S/C24H22N4O2/c29-22-13-7-4-10-19(22)17-25-27-24(30)14-15-28-21-12-6-5-11-20(21)26-23(28)16-18-8-2-1-3-9-18/h1-13,17,29H,14-16H2,(H,27,30)/b25-17-
InChIKeyJDUOQJGNPOOIMU-UQQQWYQISA-N
MW398.47 g/mol
LogP3.87
Rot. Bonds7

About 3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide

3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 136689088) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
PubChem CID136689088
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCn1c(Cc2ccccc2)nc2ccccc21)N/N=C\c1ccccc1O
InChIInChI=1S/C24H22N4O2/c29-22-13-7-4-10-19(22)17-25-27-24(30)14-15-28-21-12-6-5-11-20(21)26-23(28)16-18-8-2-1-3-9-18/h1-13,17,29H,14-16H2,(H,27,30)/b25-17-
InChIKeyJDUOQJGNPOOIMU-UQQQWYQISA-N
XLogP3.87
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 73346310
3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135647103
3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide
CID 136847275
N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 73346309
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 2754894
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 1417747
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide (CID 136689088) is 3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide is O=C(CCn1c(Cc2ccccc2)nc2ccccc21)N/N=C\c1ccccc1O.
What is the InChIKey of 3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is JDUOQJGNPOOIMU-UQQQWYQISA-N. The full InChI is InChI=1S/C24H22N4O2/c29-22-13-7-4-10-19(22)17-25-27-24(30)14-15-28-21-12-6-5-11-20(21)26-23(28)16-18-8-2-1-3-9-18/h1-13,17,29H,14-16H2,(H,27,30)/b25-17-.
What are the key properties of 3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide?
3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 398.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 136689088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).