N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide

C25H25N7O4S — CID 135452916

IUPACN-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4cccc(NS(C)(=O)=O)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C25H25N7O4S/c1-15-10-18(32-9-8-26-14-32)12-20-23(15)30-24(29-20)22-19(6-7-27-25(22)34)28-13-21(33)16-4-3-5-17(11-16)31-37(2,35)36/h3-12,14,21,31,33H,13H2,1-2H3,(H,29,30)(H2,27,28,34)
InChIKeyITOBIOBRLRLTTQ-UHFFFAOYSA-N
MW519.59 g/mol
LogP2.93
Rot. Bonds8

About N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide

N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 135452916) has the molecular formula C25H25N7O4S and a molecular weight of 519.59 g/mol. Its IUPAC name is N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide
PubChem CID135452916
Molecular FormulaC25H25N7O4S
Molecular Weight519.59 g/mol
Exact Mass519.17
IUPAC NameN-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4cccc(NS(C)(=O)=O)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C25H25N7O4S/c1-15-10-18(32-9-8-26-14-32)12-20-23(15)30-24(29-20)22-19(6-7-27-25(22)34)28-13-21(33)16-4-3-5-17(11-16)31-37(2,35)36/h3-12,14,21,31,33H,13H2,1-2H3,(H,29,30)(H2,27,28,34)
InChIKeyITOBIOBRLRLTTQ-UHFFFAOYSA-N
XLogP2.93
TPSA157.79 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.59
LogP ≤ 52.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-((S)-3-(3-fluorophenyl)-1-hydroxypropan-2-ylamino)pyridin-2(1H)-one
CID 135424490
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-(3-chloro-4-fluorophenyl)-2-hydroxyethylamino)pyridin-2(1H)-one
CID 135454939
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-(3-bromophenyl)-2-hydroxyethylamino)pyridin-2(1H)-one
CID 135469646
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-hydroxy-2-(3-hydroxyphenyl)ethylamino)pyridin-2(1H)-one
CID 135530495
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-hydroxy-2-phenylethylamino)pyridin-2(1H)-one
CID 135542937
3-(2-(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-2-oxo-1,2-dihydropyridin-4-ylamino)-1-hydroxyethyl)benzonitrile
CID 135553279
3-(5-(1H-imidazol-1-yl)-7-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-(2-chlorophenyl)-2-hydroxyethylamino)pyridin-2(1H)-one
CID 135553383
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-((S)-3-(2-bromophenyl)-1-hydroxypropan-2-ylamino)pyridin-2(1H)-one
CID 135611169
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)pyridin-2(1H)-one
CID 135681612
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-hydroxy-2-(3-methoxyphenyl)ethylamino)pyridin-2(1H)-one
CID 135681721
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-hydroxy-2-p-tolylethylamino)pyridin-2(1H)-one
CID 135681727
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-(3-fluorophenyl)-2-hydroxyethylamino)pyridin-2(1H)-one
CID 135681742

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide (CID 135452916) is N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide is Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4cccc(NS(C)(=O)=O)c4)cc[nH]c3=O)nc12.
What is the InChIKey of N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is ITOBIOBRLRLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O4S/c1-15-10-18(32-9-8-26-14-32)12-20-23(15)30-24(29-20)22-19(6-7-27-25(22)34)28-13-21(33)16-4-3-5-17(11-16)31-37(2,35)36/h3-12,14,21,31,33H,13H2,1-2H3,(H,29,30)(H2,27,28,34).
What are the key properties of N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide?
N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 519.59 g/mol, XLogP of 2.93, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 135452916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).