7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide

C24H20N4 — CID 164611720

IUPAC7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(-c3ccc4ccc(/C(N)=N/[H])cc4c3)c2)cc1
InChIInChI=1S/C24H20N4/c25-23(26)17-8-4-15(5-9-17)18-2-1-3-19(12-18)20-10-6-16-7-11-21(24(27)28)14-22(16)13-20/h1-14H,(H3,25,26)(H3,27,28)
InChIKeyGJZFKOOVWIMVFW-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.74
Rot. Bonds4

About 7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide

7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide (PubChem CID 164611720) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
PubChem CID164611720
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(-c3ccc4ccc(/C(N)=N/[H])cc4c3)c2)cc1
InChIInChI=1S/C24H20N4/c25-23(26)17-8-4-15(5-9-17)18-2-1-3-19(12-18)20-10-6-16-7-11-21(24(27)28)14-22(16)13-20/h1-14H,(H3,25,26)(H3,27,28)
InChIKeyGJZFKOOVWIMVFW-UHFFFAOYSA-N
XLogP4.74
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-(3-cyanophenyl)benzenecarboximidamide
CID 6345365
3-(4-chlorophenyl)benzenecarboximidamide
CID 6345111
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
2-[3-(4-carbamimidoylphenyl)phenyl]-3-methylbenzimidazole-5-carboximidamide
CID 164622961
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
6,7-dibromonaphthalene-2-carboximidamide;hydrochloride
CID 121232084
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
CID 142648170
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide;hydrate;dihydrochloride
CID 18676829
pyrene-2-carboximidamide
CID 151524830

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide?
The IUPAC name of 7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide (CID 164611720) is 7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide?
The canonical SMILES for 7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2cccc(-c3ccc4ccc(/C(N)=N/[H])cc4c3)c2)cc1.
What is the InChIKey of 7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide?
The InChIKey is GJZFKOOVWIMVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c25-23(26)17-8-4-15(5-9-17)18-2-1-3-19(12-18)20-10-6-16-7-11-21(24(27)28)14-22(16)13-20/h1-14H,(H3,25,26)(H3,27,28).
What are the key properties of 7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide?
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide has a molecular weight of 364.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 164611720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).