2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide

C20H17N5O — CID 164615146

IUPAC2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cc4cc(/C(N)=N/[H])ccc4[nH]3)o2)cc1
InChIInChI=1S/C20H17N5O/c21-19(22)12-3-1-11(2-4-12)17-7-8-18(26-17)16-10-14-9-13(20(23)24)5-6-15(14)25-16/h1-10,25H,(H3,21,22)(H3,23,24)
InChIKeyZTQVYHXORMQGLC-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.66
Rot. Bonds4

About 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide

2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide (PubChem CID 164615146) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide
PubChem CID164615146
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cc4cc(/C(N)=N/[H])ccc4[nH]3)o2)cc1
InChIInChI=1S/C20H17N5O/c21-19(22)12-3-1-11(2-4-12)17-7-8-18(26-17)16-10-14-9-13(20(23)24)5-6-15(14)25-16/h1-10,25H,(H3,21,22)(H3,23,24)
InChIKeyZTQVYHXORMQGLC-UHFFFAOYSA-N
XLogP3.66
TPSA128.67 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.66
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-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide?
The IUPAC name of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide (CID 164615146) is 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide.
What is the SMILES notation for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide?
The canonical SMILES for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cc4cc(/C(N)=N/[H])ccc4[nH]3)o2)cc1.
What is the InChIKey of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide?
The InChIKey is ZTQVYHXORMQGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-19(22)12-3-1-11(2-4-12)17-7-8-18(26-17)16-10-14-9-13(20(23)24)5-6-15(14)25-16/h1-10,25H,(H3,21,22)(H3,23,24).
What are the key properties of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide?
2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide has a molecular weight of 343.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-indole-5-carboximidamide is sourced from PubChem (CID 164615146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).