2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide

C16H16N4 — CID 155294731

IUPAC2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(-c3ccc(CN)cc3)[nH]c2c1
InChIInChI=1S/C16H16N4/c17-9-10-1-3-11(4-2-10)14-7-12-5-6-13(16(18)19)8-15(12)20-14/h1-8,20H,9,17H2,(H3,18,19)
InChIKeyBJDUKKLKYRGPGC-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.58
Rot. Bonds3

About 2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide

2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide (PubChem CID 155294731) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide
PubChem CID155294731
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(-c3ccc(CN)cc3)[nH]c2c1
InChIInChI=1S/C16H16N4/c17-9-10-1-3-11(4-2-10)14-7-12-5-6-13(16(18)19)8-15(12)20-14/h1-8,20H,9,17H2,(H3,18,19)
InChIKeyBJDUKKLKYRGPGC-UHFFFAOYSA-N
XLogP2.58
TPSA91.68 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.58
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-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide;hydrate;dihydrochloride
CID 18676829
2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
CID 3010563
4-[6-(diaminomethyl)-1H-indol-2-yl]benzenecarboximidamide
CID 118200511
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide
CID 165097178
4-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]pyridine-2-carboximidamide;trihydrochloride
CID 53358800
[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride
CID 172946437
2-phenyl-1H-indole-6-carboxamide
CID 69443786
2-[4-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]methyl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 10227902
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
7-carbamimidoyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 176988875

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide (CID 155294731) is 2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide is [H]/N=C(\N)c1ccc2cc(-c3ccc(CN)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide?
The InChIKey is BJDUKKLKYRGPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-9-10-1-3-11(4-2-10)14-7-12-5-6-13(16(18)19)8-15(12)20-14/h1-8,20H,9,17H2,(H3,18,19).
What are the key properties of 2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide?
2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide is sourced from PubChem (CID 155294731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).