2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide

C16H15N5 — CID 2954

IUPAC2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc3ccc(/C(N)=N/[H])cc3[nH]2)cc1
InChIInChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)
InChIKeyFWBHETKCLVMNFS-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide

2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide (PubChem CID 2954) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide.

Molecular Properties

Compound Name2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide
PubChem CID2954
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc3ccc(/C(N)=N/[H])cc3[nH]2)cc1
InChIInChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)
InChIKeyFWBHETKCLVMNFS-UHFFFAOYSA-N
XLogP2.40
TPSA115.53 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.40
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide?
The IUPAC name of 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide (CID 2954) is 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide.
What is the SMILES notation for 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide?
The canonical SMILES for 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide is [H]/N=C(\N)c1ccc(-c2cc3ccc(/C(N)=N/[H])cc3[nH]2)cc1.
What is the InChIKey of 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide?
The InChIKey is FWBHETKCLVMNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20).
What are the key properties of 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide?
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide has a molecular weight of 277.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide is sourced from PubChem (CID 2954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).