1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine

C26H19FN2 — CID 126245022

IUPAC1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine
SMILESFc1cccc(Cn2ccc3cc(/C=N/c4ccc5ccccc5c4)ccc32)c1
InChIInChI=1S/C26H19FN2/c27-24-7-3-4-20(15-24)18-29-13-12-23-14-19(8-11-26(23)29)17-28-25-10-9-21-5-1-2-6-22(21)16-25/h1-17H,18H2/b28-17+
InChIKeyNZIACFOBGIHMHU-OGLMXYFKSA-N
MW378.45 g/mol
LogP6.73
Rot. Bonds4

About 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine

1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine (PubChem CID 126245022) has the molecular formula C26H19FN2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine
PubChem CID126245022
Molecular FormulaC26H19FN2
Molecular Weight378.45 g/mol
Exact Mass378.15
IUPAC Name1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine
SMILESFc1cccc(Cn2ccc3cc(/C=N/c4ccc5ccccc5c4)ccc32)c1
InChIInChI=1S/C26H19FN2/c27-24-7-3-4-20(15-24)18-29-13-12-23-14-19(8-11-26(23)29)17-28-25-10-9-21-5-1-2-6-22(21)16-25/h1-17H,18H2/b28-17+
InChIKeyNZIACFOBGIHMHU-OGLMXYFKSA-N
XLogP6.73
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine
CID 126256315
N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine
CID 126249418
N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126251507
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea
CID 126247362
N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide
CID 4273821
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126234003
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126241100
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 126253017
2-bromo-N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]benzamide
CID 126237991
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126254481

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine (CID 126245022) is 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine is Fc1cccc(Cn2ccc3cc(/C=N/c4ccc5ccccc5c4)ccc32)c1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine?
The InChIKey is NZIACFOBGIHMHU-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H19FN2/c27-24-7-3-4-20(15-24)18-29-13-12-23-14-19(8-11-26(23)29)17-28-25-10-9-21-5-1-2-6-22(21)16-25/h1-17H,18H2/b28-17+.
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine?
1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine has a molecular weight of 378.45 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine is sourced from PubChem (CID 126245022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).