N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide

C19H21ClN4O3S — CID 21023795

IUPACN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide
SMILESCC(C)(CNS(C)(=O)=O)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C19H21ClN4O3S/c1-19(2,11-22-28(3,26)27)18-23-16(12-6-8-21-9-7-12)17(24-18)13-4-5-14(20)15(25)10-13/h4-10,22,25H,11H2,1-3H3,(H,23,24)
InChIKeyCMKGLLDJHXJPIV-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.32
Rot. Bonds6

About N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide

N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide (PubChem CID 21023795) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide
PubChem CID21023795
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC NameN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide
SMILESCC(C)(CNS(C)(=O)=O)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C19H21ClN4O3S/c1-19(2,11-22-28(3,26)27)18-23-16(12-6-8-21-9-7-12)17(24-18)13-4-5-14(20)15(25)10-13/h4-10,22,25H,11H2,1-3H3,(H,23,24)
InChIKeyCMKGLLDJHXJPIV-UHFFFAOYSA-N
XLogP3.32
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide (CID 21023795) is N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide is CC(C)(CNS(C)(=O)=O)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide?
The InChIKey is CMKGLLDJHXJPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-19(2,11-22-28(3,26)27)18-23-16(12-6-8-21-9-7-12)17(24-18)13-4-5-14(20)15(25)10-13/h4-10,22,25H,11H2,1-3H3,(H,23,24).
What are the key properties of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide?
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide has a molecular weight of 420.92 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 21023795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).