2-(naphthalen-1-yloxymethylidene)benzimidazole

C18H12N2O — CID 141338963

IUPAC2-(naphthalen-1-yloxymethylidene)benzimidazole
SMILESC(Oc1cccc2ccccc12)=C1N=c2ccccc2=N1
InChIInChI=1S/C18H12N2O/c1-2-8-14-13(6-1)7-5-11-17(14)21-12-18-19-15-9-3-4-10-16(15)20-18/h1-12H
InChIKeyPGGMKFXUABTIKI-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.97
Rot. Bonds2

About 2-(naphthalen-1-yloxymethylidene)benzimidazole

2-(naphthalen-1-yloxymethylidene)benzimidazole (PubChem CID 141338963) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(naphthalen-1-yloxymethylidene)benzimidazole.

Molecular Properties

Compound Name2-(naphthalen-1-yloxymethylidene)benzimidazole
PubChem CID141338963
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name2-(naphthalen-1-yloxymethylidene)benzimidazole
SMILESC(Oc1cccc2ccccc12)=C1N=c2ccccc2=N1
InChIInChI=1S/C18H12N2O/c1-2-8-14-13(6-1)7-5-11-17(14)21-12-18-19-15-9-3-4-10-16(15)20-18/h1-12H
InChIKeyPGGMKFXUABTIKI-UHFFFAOYSA-N
XLogP2.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethenoxy)naphthalene
CID 101364927
5-(naphthalen-1-yloxymethylidene)-2H-1,3,4-thiadiazol-2-amine
CID 141294551
(E)-dinaphthalen-1-yloxydiazene
CID 67562548
1-(trifluoromethylsulfanyloxy)naphthalene
CID 175533116
dinaphthalen-1-yloxymethanethione
CID 22635249
methanol;1-methoxynaphthalene;neptunium
CID 157299455
benzene;naphthalen-1-yloxymethanol
CID 70447137
lithium;1-ethoxynaphthalene;hydride
CID 174613942
1-(2,6-difluorophenoxy)naphthalene
CID 90910204
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
CID 58689928
1-(3-chloropropoxy)naphthalene
CID 12685615
naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium
CID 174568818

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-yloxymethylidene)benzimidazole?
The IUPAC name of 2-(naphthalen-1-yloxymethylidene)benzimidazole (CID 141338963) is 2-(naphthalen-1-yloxymethylidene)benzimidazole.
What is the SMILES notation for 2-(naphthalen-1-yloxymethylidene)benzimidazole?
The canonical SMILES for 2-(naphthalen-1-yloxymethylidene)benzimidazole is C(Oc1cccc2ccccc12)=C1N=c2ccccc2=N1.
What is the InChIKey of 2-(naphthalen-1-yloxymethylidene)benzimidazole?
The InChIKey is PGGMKFXUABTIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-2-8-14-13(6-1)7-5-11-17(14)21-12-18-19-15-9-3-4-10-16(15)20-18/h1-12H.
What are the key properties of 2-(naphthalen-1-yloxymethylidene)benzimidazole?
2-(naphthalen-1-yloxymethylidene)benzimidazole has a molecular weight of 272.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-yloxymethylidene)benzimidazole is sourced from PubChem (CID 141338963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).