4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide

C17H18N4 — CID 59509320

IUPAC4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C(C2=CC=C(C3=CC=C(/C(N)=N/[H])C3)C2)C1
InChIInChI=1S/C17H18N4/c18-16(19)14-5-3-12(8-14)10-1-2-11(7-10)13-4-6-15(9-13)17(20)21/h1-6H,7-9H2,(H3,18,19)(H3,20,21)
InChIKeyPZSXGEMCCMVMGI-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.63
Rot. Bonds4

About 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide

4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide (PubChem CID 59509320) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide.

Molecular Properties

Compound Name4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide
PubChem CID59509320
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C(C2=CC=C(C3=CC=C(/C(N)=N/[H])C3)C2)C1
InChIInChI=1S/C17H18N4/c18-16(19)14-5-3-12(8-14)10-1-2-11(7-10)13-4-6-15(9-13)17(20)21/h1-6H,7-9H2,(H3,18,19)(H3,20,21)
InChIKeyPZSXGEMCCMVMGI-UHFFFAOYSA-N
XLogP2.63
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.63
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'}

Analyze 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide?
The IUPAC name of 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide (CID 59509320) is 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide.
What is the SMILES notation for 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide?
The canonical SMILES for 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide is [H]/N=C(\N)C1=CC=C(C2=CC=C(C3=CC=C(/C(N)=N/[H])C3)C2)C1.
What is the InChIKey of 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide?
The InChIKey is PZSXGEMCCMVMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-16(19)14-5-3-12(8-14)10-1-2-11(7-10)13-4-6-15(9-13)17(20)21/h1-6H,7-9H2,(H3,18,19)(H3,20,21).
What are the key properties of 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide?
4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-carbamimidoylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-diene-1-carboximidamide is sourced from PubChem (CID 59509320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).