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

C19H15N3O — CID 135449270

IUPAC1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
SMILESCn1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C19H15N3O/c1-22-17-9-5-4-8-16(17)21-19(22)20-12-15-14-7-3-2-6-13(14)10-11-18(15)23/h2-12,23H,1H3/b20-12+
InChIKeyRVIQFZNHDLEALN-UDWIEESQSA-N
MW301.35 g/mol
LogP4.18
Rot. Bonds2

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

1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol (PubChem CID 135449270) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
PubChem CID135449270
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
SMILESCn1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C19H15N3O/c1-22-17-9-5-4-8-16(17)21-19(22)20-12-15-14-7-3-2-6-13(14)10-11-18(15)23/h2-12,23H,1H3/b20-12+
InChIKeyRVIQFZNHDLEALN-UDWIEESQSA-N
XLogP4.18
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.18
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-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol (CID 135449270) is 1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol is Cn1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc21.
What is the InChIKey of 1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is RVIQFZNHDLEALN-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15N3O/c1-22-17-9-5-4-8-16(17)21-19(22)20-12-15-14-7-3-2-6-13(14)10-11-18(15)23/h2-12,23H,1H3/b20-12+.
What are the key properties of 1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 301.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135449270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).