3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

C17H16N4O2 — CID 135647103

IUPAC3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)N/N=C/c1ccccc1O
InChIInChI=1S/C17H16N4O2/c22-15-8-4-1-5-12(15)11-18-21-17(23)10-9-16-19-13-6-2-3-7-14(13)20-16/h1-8,11,22H,9-10H2,(H,19,20)(H,21,23)/b18-11+
InChIKeyAJYDYEGNIYXENF-WOJGMQOQSA-N
MW308.34 g/mol
LogP2.35
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 135647103) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
PubChem CID135647103
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)N/N=C/c1ccccc1O
InChIInChI=1S/C17H16N4O2/c22-15-8-4-1-5-12(15)11-18-21-17(23)10-9-16-19-13-6-2-3-7-14(13)20-16/h1-8,11,22H,9-10H2,(H,19,20)(H,21,23)/b18-11+
InChIKeyAJYDYEGNIYXENF-WOJGMQOQSA-N
XLogP2.35
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(1H-benzimidazol-2-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]propanamide
CID 5412877
2-(1H-benzimidazol-2-yl)-N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide;hydrochloride
CID 141213994
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137007136
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 136786975
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339499

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (CID 135647103) is 3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is O=C(CCc1nc2ccccc2[nH]1)N/N=C/c1ccccc1O.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is AJYDYEGNIYXENF-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-15-8-4-1-5-12(15)11-18-21-17(23)10-9-16-19-13-6-2-3-7-14(13)20-16/h1-8,11,22H,9-10H2,(H,19,20)(H,21,23)/b18-11+.
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 308.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135647103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).