1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol

C20H17N3O — CID 135515711

IUPAC1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
SMILESCCn1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C20H17N3O/c1-2-23-18-10-6-5-9-17(18)22-20(23)21-13-16-15-8-4-3-7-14(15)11-12-19(16)24/h3-13,24H,2H2,1H3/b21-13+
InChIKeyUAASIEWOVVGLQL-FYJGNVAPSA-N
MW315.38 g/mol
LogP4.67
Rot. Bonds3

About 1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol

1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol (PubChem CID 135515711) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
PubChem CID135515711
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
SMILESCCn1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C20H17N3O/c1-2-23-18-10-6-5-9-17(18)22-20(23)21-13-16-15-8-4-3-7-14(15)11-12-19(16)24/h3-13,24H,2H2,1H3/b21-13+
InChIKeyUAASIEWOVVGLQL-FYJGNVAPSA-N
XLogP4.67
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol (CID 135515711) is 1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol is CCn1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc21.
What is the InChIKey of 1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is UAASIEWOVVGLQL-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-23-18-10-6-5-9-17(18)22-20(23)21-13-16-15-8-4-3-7-14(15)11-12-19(16)24/h3-13,24H,2H2,1H3/b21-13+.
What are the key properties of 1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 315.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135515711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).