2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide

C17H17N5O — CID 10091148

IUPAC2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc3ccc(/C(N)=N/[H])cc3[nH]2)c(OC)c1
InChIInChI=1S/C17H17N5O/c1-23-15-8-11(17(20)21)4-5-12(15)14-6-9-2-3-10(16(18)19)7-13(9)22-14/h2-8,22H,1H3,(H3,18,19)(H3,20,21)
InChIKeyJXGRFUGWGBDYAQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide

2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide (PubChem CID 10091148) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide.

Molecular Properties

Compound Name2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide
PubChem CID10091148
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc3ccc(/C(N)=N/[H])cc3[nH]2)c(OC)c1
InChIInChI=1S/C17H17N5O/c1-23-15-8-11(17(20)21)4-5-12(15)14-6-9-2-3-10(16(18)19)7-13(9)22-14/h2-8,22H,1H3,(H3,18,19)(H3,20,21)
InChIKeyJXGRFUGWGBDYAQ-UHFFFAOYSA-N
XLogP2.41
TPSA124.76 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide?
The IUPAC name of 2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide (CID 10091148) is 2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide.
What is the SMILES notation for 2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide?
The canonical SMILES for 2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide is [H]/N=C(\N)c1ccc(-c2cc3ccc(/C(N)=N/[H])cc3[nH]2)c(OC)c1.
What is the InChIKey of 2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide?
The InChIKey is JXGRFUGWGBDYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-23-15-8-11(17(20)21)4-5-12(15)14-6-9-2-3-10(16(18)19)7-13(9)22-14/h2-8,22H,1H3,(H3,18,19)(H3,20,21).
What are the key properties of 2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide?
2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide has a molecular weight of 307.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamimidoyl-2-methoxyphenyl)-1H-indole-6-carboximidamide is sourced from PubChem (CID 10091148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).