N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide

C22H20N4O2 — CID 135641995

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C22H20N4O2/c1-15-24-19-8-4-5-9-20(19)26(15)13-12-22(28)25-23-14-18-17-7-3-2-6-16(17)10-11-21(18)27/h2-11,14,27H,12-13H2,1H3,(H,25,28)/b23-14+
InChIKeySOPYTFSYTUAGFR-OEAKJJBVSA-N
MW372.43 g/mol
LogP3.74
Rot. Bonds5

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide (PubChem CID 135641995) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
PubChem CID135641995
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C22H20N4O2/c1-15-24-19-8-4-5-9-20(19)26(15)13-12-22(28)25-23-14-18-17-7-3-2-6-16(17)10-11-21(18)27/h2-11,14,27H,12-13H2,1H3,(H,25,28)/b23-14+
InChIKeySOPYTFSYTUAGFR-OEAKJJBVSA-N
XLogP3.74
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide (CID 135641995) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide is Cc1nc2ccccc2n1CCC(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
The InChIKey is SOPYTFSYTUAGFR-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-24-19-8-4-5-9-20(19)26(15)13-12-22(28)25-23-14-18-17-7-3-2-6-16(17)10-11-21(18)27/h2-11,14,27H,12-13H2,1H3,(H,25,28)/b23-14+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide has a molecular weight of 372.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 135641995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).