2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide

C16H13Cl2N5 — CID 91031636

IUPAC2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2[nH]c3cc(/C(N)=N/[H])cc(Cl)c3c2Cl)cc1
InChIInChI=1S/C16H13Cl2N5/c17-10-5-9(16(21)22)6-11-12(10)13(18)14(23-11)7-1-3-8(4-2-7)15(19)20/h1-6,23H,(H3,19,20)(H3,21,22)
InChIKeyYJIQDLDBBSCLPJ-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.71
Rot. Bonds3

About 2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide

2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide (PubChem CID 91031636) has the molecular formula C16H13Cl2N5 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide.

Molecular Properties

Compound Name2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide
PubChem CID91031636
Molecular FormulaC16H13Cl2N5
Molecular Weight346.22 g/mol
Exact Mass345.05
IUPAC Name2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2[nH]c3cc(/C(N)=N/[H])cc(Cl)c3c2Cl)cc1
InChIInChI=1S/C16H13Cl2N5/c17-10-5-9(16(21)22)6-11-12(10)13(18)14(23-11)7-1-3-8(4-2-7)15(19)20/h1-6,23H,(H3,19,20)(H3,21,22)
InChIKeyYJIQDLDBBSCLPJ-UHFFFAOYSA-N
XLogP3.71
TPSA115.53 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.71
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)-3,4-dichloro-1H-indole-6-carboximidamide?
The IUPAC name of 2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide (CID 91031636) is 2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide.
What is the SMILES notation for 2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide?
The canonical SMILES for 2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide is [H]/N=C(\N)c1ccc(-c2[nH]c3cc(/C(N)=N/[H])cc(Cl)c3c2Cl)cc1.
What is the InChIKey of 2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide?
The InChIKey is YJIQDLDBBSCLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5/c17-10-5-9(16(21)22)6-11-12(10)13(18)14(23-11)7-1-3-8(4-2-7)15(19)20/h1-6,23H,(H3,19,20)(H3,21,22).
What are the key properties of 2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide?
2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide has a molecular weight of 346.22 g/mol, XLogP of 3.71, 3 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamimidoylphenyl)-3,4-dichloro-1H-indole-6-carboximidamide is sourced from PubChem (CID 91031636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).