2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide

C16H15N5 — CID 3010563

IUPAC2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2cc3cc(/C(N)=N/[H])ccc3[nH]2)c1
InChIInChI=1S/C16H15N5/c17-15(18)10-3-1-2-9(6-10)14-8-12-7-11(16(19)20)4-5-13(12)21-14/h1-8,21H,(H3,17,18)(H3,19,20)
InChIKeyIKKOIDXPCLTTKG-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.40
Rot. Bonds3

About 2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide

2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide (PubChem CID 3010563) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
PubChem CID3010563
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2cc3cc(/C(N)=N/[H])ccc3[nH]2)c1
InChIInChI=1S/C16H15N5/c17-15(18)10-3-1-2-9(6-10)14-8-12-7-11(16(19)20)4-5-13(12)21-14/h1-8,21H,(H3,17,18)(H3,19,20)
InChIKeyIKKOIDXPCLTTKG-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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Related Compounds

2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide
CID 165097178
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide;hydrate;dihydrochloride
CID 18676829
2-(4-carbamimidoyl-2-methylphenyl)-1H-indole-5-carboximidamide
CID 53320554
2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide
CID 155294731
2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide
CID 25254513
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
7-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1H-indol-2-yl]naphthalene-2-carboximidamide;trihydrochloride
CID 11671033
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
4-[6-(diaminomethyl)-1H-indol-2-yl]benzenecarboximidamide
CID 118200511
3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide
CID 58290735
2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide?
The IUPAC name of 2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide (CID 3010563) is 2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide.
What is the SMILES notation for 2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide?
The canonical SMILES for 2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide is [H]/N=C(\N)c1cccc(-c2cc3cc(/C(N)=N/[H])ccc3[nH]2)c1.
What is the InChIKey of 2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide?
The InChIKey is IKKOIDXPCLTTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c17-15(18)10-3-1-2-9(6-10)14-8-12-7-11(16(19)20)4-5-13(12)21-14/h1-8,21H,(H3,17,18)(H3,19,20).
What are the key properties of 2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide?
2-(3-carbamimidoylphenyl)-1H-indole-5-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-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide is sourced from PubChem (CID 3010563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).