5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide

C23H20N4O — CID 70068069

IUPAC5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C23H20N4O/c1-14-21(19-13-17(22(24)25)9-12-20(19)26-14)23(28)27-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13,26H,1H3,(H3,24,25)(H,27,28)
InChIKeyRYXNYSXEXBJEKB-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.68
Rot. Bonds4

About 5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide

5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide (PubChem CID 70068069) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide
PubChem CID70068069
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C23H20N4O/c1-14-21(19-13-17(22(24)25)9-12-20(19)26-14)23(28)27-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13,26H,1H3,(H3,24,25)(H,27,28)
InChIKeyRYXNYSXEXBJEKB-UHFFFAOYSA-N
XLogP4.68
TPSA94.76 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.68
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

2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide
CID 18800618
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 135016973
2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide
CID 135016971
N-(9H-carbazol-3-yl)-4-phenylbenzamide
CID 43917247
ethane;4-phenylbenzenecarboximidamide
CID 91221015
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide
CID 10226973
6-carbamimidoyl-2-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 151427042
N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide
CID 59110661
6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide
CID 10225096
2-(3-carbamimidoylphenyl)-N-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 54231096

Frequently Asked Questions

What is the IUPAC name of 5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide (CID 70068069) is 5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide is [H]/N=C(\N)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of 5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide?
The InChIKey is RYXNYSXEXBJEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-14-21(19-13-17(22(24)25)9-12-20(19)26-14)23(28)27-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13,26H,1H3,(H3,24,25)(H,27,28).
What are the key properties of 5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide?
5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 70068069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).