N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide

C29H27N5O3S — CID 162666871

IUPACN-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccccc1
InChIInChI=1S/C29H27N5O3S/c35-24-12-7-11-22(19-24)27-28(34-29(33-27)21-9-3-1-4-10-21)23-15-18-31-26(20-23)30-16-8-17-32-38(36,37)25-13-5-2-6-14-25/h1-7,9-15,18-20,32,35H,8,16-17H2,(H,30,31)(H,33,34)
InChIKeyDZBNYRBDAUIENP-UHFFFAOYSA-N
MW525.63 g/mol
LogP5.29
Rot. Bonds10

About N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide

N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide (PubChem CID 162666871) has the molecular formula C29H27N5O3S and a molecular weight of 525.63 g/mol. Its IUPAC name is N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide
PubChem CID162666871
Molecular FormulaC29H27N5O3S
Molecular Weight525.63 g/mol
Exact Mass525.18
IUPAC NameN-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccccc1
InChIInChI=1S/C29H27N5O3S/c35-24-12-7-11-22(19-24)27-28(34-29(33-27)21-9-3-1-4-10-21)23-15-18-31-26(20-23)30-16-8-17-32-38(36,37)25-13-5-2-6-14-25/h1-7,9-15,18-20,32,35H,8,16-17H2,(H,30,31)(H,33,34)
InChIKeyDZBNYRBDAUIENP-UHFFFAOYSA-N
XLogP5.29
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 55.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide?
The IUPAC name of N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide (CID 162666871) is N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide?
The canonical SMILES for N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide is O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccccc1.
What is the InChIKey of N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide?
The InChIKey is DZBNYRBDAUIENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3S/c35-24-12-7-11-22(19-24)27-28(34-29(33-27)21-9-3-1-4-10-21)23-15-18-31-26(20-23)30-16-8-17-32-38(36,37)25-13-5-2-6-14-25/h1-7,9-15,18-20,32,35H,8,16-17H2,(H,30,31)(H,33,34).
What are the key properties of N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide?
N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide has a molecular weight of 525.63 g/mol, XLogP of 5.29, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide is sourced from PubChem (CID 162666871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).