N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide

C32H26Cl2N4O — CID 169205786

IUPACN'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
SMILESN/C(=N\Cc1ccccc1Cl)c1ccc(-c2ccc(-c3ccc(/C(N)=N/Cc4ccccc4Cl)cc3)o2)cc1
InChIInChI=1S/C32H26Cl2N4O/c33-27-7-3-1-5-25(27)19-37-31(35)23-13-9-21(10-14-23)29-17-18-30(39-29)22-11-15-24(16-12-22)32(36)38-20-26-6-2-4-8-28(26)34/h1-18H,19-20H2,(H2,35,37)(H2,36,38)
InChIKeyGZNSIPGJJCWKQD-UHFFFAOYSA-N
MW553.49 g/mol
LogP7.73
Rot. Bonds8

About N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide

N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide (PubChem CID 169205786) has the molecular formula C32H26Cl2N4O and a molecular weight of 553.49 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
PubChem CID169205786
Molecular FormulaC32H26Cl2N4O
Molecular Weight553.49 g/mol
Exact Mass552.15
IUPAC NameN'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
SMILESN/C(=N\Cc1ccccc1Cl)c1ccc(-c2ccc(-c3ccc(/C(N)=N/Cc4ccccc4Cl)cc3)o2)cc1
InChIInChI=1S/C32H26Cl2N4O/c33-27-7-3-1-5-25(27)19-37-31(35)23-13-9-21(10-14-23)29-17-18-30(39-29)22-11-15-24(16-12-22)32(36)38-20-26-6-2-4-8-28(26)34/h1-18H,19-20H2,(H2,35,37)(H2,36,38)
InChIKeyGZNSIPGJJCWKQD-UHFFFAOYSA-N
XLogP7.73
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.49
LogP ≤ 57.73
H-Bond Donors ≤ 52
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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Related Compounds

N'-[(4-chlorophenyl)methyl]-4-[5-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
CID 169205783
N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
CID 169205876
4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 70642650
N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
CID 63174432
N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide
CID 89033049
N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide
CID 44531351
azane;4-bromo-N-[(2-chlorophenyl)methyl]benzamide;4-bromo-N'-[(2-chlorophenyl)methyl]benzenecarboximidamide;methanol;thionyl dichloride
CID 158054008
N'-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 63175435
2-[(2-chlorophenyl)methyl]-1-ethylguanidine
CID 62364154
2-amino-N'-[(2-chlorophenyl)methyl]benzenecarboximidamide;N'-[(2-chlorophenyl)methyl]-2-hydrazinylbenzenecarboximidamide
CID 169205739
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
2-[(2-chlorophenyl)methyl]-1,3-diethylguanidine;hydroiodide
CID 110924859

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide (CID 169205786) is N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide is N/C(=N\Cc1ccccc1Cl)c1ccc(-c2ccc(-c3ccc(/C(N)=N/Cc4ccccc4Cl)cc3)o2)cc1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide?
The InChIKey is GZNSIPGJJCWKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2N4O/c33-27-7-3-1-5-25(27)19-37-31(35)23-13-9-21(10-14-23)29-17-18-30(39-29)22-11-15-24(16-12-22)32(36)38-20-26-6-2-4-8-28(26)34/h1-18H,19-20H2,(H2,35,37)(H2,36,38).
What are the key properties of N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide?
N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide has a molecular weight of 553.49 g/mol, XLogP of 7.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide is sourced from PubChem (CID 169205786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).