N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide

C24H25N3 — CID 121440323

IUPACN'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide
SMILESCCCC(/N=C(\N)c1cccc(-c2ccccc2)c1)=N\c1ccccc1C
InChIInChI=1S/C24H25N3/c1-3-10-23(26-22-16-8-7-11-18(22)2)27-24(25)21-15-9-14-20(17-21)19-12-5-4-6-13-19/h4-9,11-17H,3,10H2,1-2H3,(H2,25,26,27)
InChIKeyNDRGZYFFJNIMIZ-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.90
Rot. Bonds5

About N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide

N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide (PubChem CID 121440323) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide
PubChem CID121440323
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC NameN'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide
SMILESCCCC(/N=C(\N)c1cccc(-c2ccccc2)c1)=N\c1ccccc1C
InChIInChI=1S/C24H25N3/c1-3-10-23(26-22-16-8-7-11-18(22)2)27-24(25)21-15-9-14-20(17-21)19-12-5-4-6-13-19/h4-9,11-17H,3,10H2,1-2H3,(H2,25,26,27)
InChIKeyNDRGZYFFJNIMIZ-UHFFFAOYSA-N
XLogP5.90
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide?
The IUPAC name of N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide (CID 121440323) is N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide?
The canonical SMILES for N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide is CCCC(/N=C(\N)c1cccc(-c2ccccc2)c1)=N\c1ccccc1C.
What is the InChIKey of N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide?
The InChIKey is NDRGZYFFJNIMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-3-10-23(26-22-16-8-7-11-18(22)2)27-24(25)21-15-9-14-20(17-21)19-12-5-4-6-13-19/h4-9,11-17H,3,10H2,1-2H3,(H2,25,26,27).
What are the key properties of N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide?
N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide has a molecular weight of 355.49 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide is sourced from PubChem (CID 121440323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).