N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide

C26H23ClN4O3S — CID 86757706

IUPACN'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)C=NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(-c3ccccc3)nc(Cl)c2C=O)cc1
InChIInChI=1S/C26H23ClN4O3S/c1-30(2)18-28-35(33,34)24-11-7-6-10-22(24)20-14-12-19(13-15-20)16-31-23(17-32)25(27)29-26(31)21-8-4-3-5-9-21/h3-15,17-18H,16H2,1-2H3
InChIKeyKRRZIWZOOKFRBO-UHFFFAOYSA-N
MW507.02 g/mol
LogP5.01
Rot. Bonds8

About N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide

N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 86757706) has the molecular formula C26H23ClN4O3S and a molecular weight of 507.02 g/mol. Its IUPAC name is N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
PubChem CID86757706
Molecular FormulaC26H23ClN4O3S
Molecular Weight507.02 g/mol
Exact Mass506.12
IUPAC NameN'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)C=NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(-c3ccccc3)nc(Cl)c2C=O)cc1
InChIInChI=1S/C26H23ClN4O3S/c1-30(2)18-28-35(33,34)24-11-7-6-10-22(24)20-14-12-19(13-15-20)16-31-23(17-32)25(27)29-26(31)21-8-4-3-5-9-21/h3-15,17-18H,16H2,1-2H3
InChIKeyKRRZIWZOOKFRBO-UHFFFAOYSA-N
XLogP5.01
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.02
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide (CID 86757706) is N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide is CN(C)C=NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(-c3ccccc3)nc(Cl)c2C=O)cc1.
What is the InChIKey of N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is KRRZIWZOOKFRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3S/c1-30(2)18-28-35(33,34)24-11-7-6-10-22(24)20-14-12-19(13-15-20)16-31-23(17-32)25(27)29-26(31)21-8-4-3-5-9-21/h3-15,17-18H,16H2,1-2H3.
What are the key properties of N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide?
N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 507.02 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 86757706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).