1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol

C21H19N3O — CID 918401

IUPAC1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
SMILESCC(C)n1c(N=Cc2c(O)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C21H19N3O/c1-14(2)24-19-10-6-5-9-18(19)23-21(24)22-13-17-16-8-4-3-7-15(16)11-12-20(17)25/h3-14,25H,1-2H3
InChIKeyMSGSKBKGZCUORG-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.23
Rot. Bonds3

About 1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol

1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol (PubChem CID 918401) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
PubChem CID918401
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
SMILESCC(C)n1c(N=Cc2c(O)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C21H19N3O/c1-14(2)24-19-10-6-5-9-18(19)23-21(24)22-13-17-16-8-4-3-7-15(16)11-12-20(17)25/h3-14,25H,1-2H3
InChIKeyMSGSKBKGZCUORG-UHFFFAOYSA-N
XLogP5.23
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
CID 680090
1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
CID 1215311
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
6-bromo-1-[(E)-(1-heptylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
CID 135606674
2-(benzotriazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 5016769
1-[(4-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 809927
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
CID 136695197
1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 135459002
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol (CID 918401) is 1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol is CC(C)n1c(N=Cc2c(O)ccc3ccccc23)nc2ccccc21.
What is the InChIKey of 1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is MSGSKBKGZCUORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14(2)24-19-10-6-5-9-18(19)23-21(24)22-13-17-16-8-4-3-7-15(16)11-12-20(17)25/h3-14,25H,1-2H3.
What are the key properties of 1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 329.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 918401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).