1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one

C71H82Cl3N15O11S3 — CID 160536196

IUPAC1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one
SMILESCC(C)(C)OC(=O)N1CC(n2c(=O)n(Cc3nc4cc(Cl)ccc4n3CCCS(C)(=O)=O)c3ccccc32)C1.CC(C)(C)n1c(=O)n(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2cnccc21.CC1(n2c(=O)n(Cc3nc4cc(Cl)ccc4n3CCCS(C)(=O)=O)c3cnccc32)CC1
InChIInChI=1S/C27H32ClN5O5S.C22H24ClN5O3S.C22H26ClN5O3S/c1-27(2,3)38-26(35)30-15-19(16-30)33-23-9-6-5-8-22(23)32(25(33)34)17-24-29-20-14-18(28)10-11-21(20)31(24)12-7-13-39(4,36)37;1-22(7-8-22)28-18-6-9-24-13-19(18)27(21(28)29)14-20-25-16-12-15(23)4-5-17(16)26(20)10-3-11-32(2,30)31;1-22(2,3)28-18-8-9-24-13-19(18)27(21(28)29)14-20-25-16-12-15(23)6-7-17(16)26(20)10-5-11-32(4,30)31/h5-6,8-11,14,19H,7,12-13,15-17H2,1-4H3;4-6,9,12-13H,3,7-8,10-11,14H2,1-2H3;6-9,12-13H,5,10-11,14H2,1-4H3
InChIKeyQWEPQXWALNAXID-UHFFFAOYSA-N
MW1524.09 g/mol
LogP10.71
Rot. Bonds20

About 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one

1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 160536196) has the molecular formula C71H82Cl3N15O11S3 and a molecular weight of 1524.09 g/mol. Its IUPAC name is 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one
PubChem CID160536196
Molecular FormulaC71H82Cl3N15O11S3
Molecular Weight1524.09 g/mol
Exact Mass1521.45
IUPAC Name1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one
SMILESCC(C)(C)OC(=O)N1CC(n2c(=O)n(Cc3nc4cc(Cl)ccc4n3CCCS(C)(=O)=O)c3ccccc32)C1.CC(C)(C)n1c(=O)n(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2cnccc21.CC1(n2c(=O)n(Cc3nc4cc(Cl)ccc4n3CCCS(C)(=O)=O)c3cnccc32)CC1
InChIInChI=1S/C27H32ClN5O5S.C22H24ClN5O3S.C22H26ClN5O3S/c1-27(2,3)38-26(35)30-15-19(16-30)33-23-9-6-5-8-22(23)32(25(33)34)17-24-29-20-14-18(28)10-11-21(20)31(24)12-7-13-39(4,36)37;1-22(7-8-22)28-18-6-9-24-13-19(18)27(21(28)29)14-20-25-16-12-15(23)4-5-17(16)26(20)10-3-11-32(2,30)31;1-22(2,3)28-18-8-9-24-13-19(18)27(21(28)29)14-20-25-16-12-15(23)6-7-17(16)26(20)10-5-11-32(4,30)31/h5-6,8-11,14,19H,7,12-13,15-17H2,1-4H3;4-6,9,12-13H,3,7-8,10-11,14H2,1-2H3;6-9,12-13H,5,10-11,14H2,1-4H3
InChIKeyQWEPQXWALNAXID-UHFFFAOYSA-N
XLogP10.71
TPSA291.99 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001524.09
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one with MolForge

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Related Compounds

4-Chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one
CID 158843287
7-Chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-(trifluoromethyl)benzimidazol-2-one
CID 160072221
2-(benzimidazol-1-yl)-9-(1,1-dioxothian-4-yl)-7H-purin-8-one;tert-butyl 2-(benzimidazol-1-yl)-9-(1,1-dioxothian-4-yl)-8-oxopurine-7-carboxylate;tert-butyl 2-(benzimidazol-1-yl)-8-oxo-9-(thian-4-yl)purine-7-carboxylate
CID 157138519
4-Chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one
CID 157534411
4-Chloro-1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one
CID 159276060
bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]-N-cyclopropylsulfonyl-N-methylbutanamide;3-[[5-chloro-1-(5-cyclopropylsulfonyl-4-oxopentyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 159533303
Bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanoic acid;3-[[5-chloro-1-(5-cyclopropylsulfonyl-4-oxopentyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 161073995
1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-tert-butyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphanylphosphane
CID 161255402
7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane
CID 161355589
Tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]azetidine-1-carboxylate
CID 72703131

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one (CID 160536196) is 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one is CC(C)(C)OC(=O)N1CC(n2c(=O)n(Cc3nc4cc(Cl)ccc4n3CCCS(C)(=O)=O)c3ccccc32)C1.CC(C)(C)n1c(=O)n(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2cnccc21.CC1(n2c(=O)n(Cc3nc4cc(Cl)ccc4n3CCCS(C)(=O)=O)c3cnccc32)CC1.
What is the InChIKey of 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is QWEPQXWALNAXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O5S.C22H24ClN5O3S.C22H26ClN5O3S/c1-27(2,3)38-26(35)30-15-19(16-30)33-23-9-6-5-8-22(23)32(25(33)34)17-24-29-20-14-18(28)10-11-21(20)31(24)12-7-13-39(4,36)37;1-22(7-8-22)28-18-6-9-24-13-19(18)27(21(28)29)14-20-25-16-12-15(23)4-5-17(16)26(20)10-3-11-32(2,30)31;1-22(2,3)28-18-8-9-24-13-19(18)27(21(28)29)14-20-25-16-12-15(23)6-7-17(16)26(20)10-5-11-32(4,30)31/h5-6,8-11,14,19H,7,12-13,15-17H2,1-4H3;4-6,9,12-13H,3,7-8,10-11,14H2,1-2H3;6-9,12-13H,5,10-11,14H2,1-4H3.
What are the key properties of 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one?
1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 1524.09 g/mol, XLogP of 10.71, 20 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tert-butyl 3-[3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]azetidine-1-carboxylate;3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 160536196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).