pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate

C24H30N4O5S — CID 43009106

IUPACpyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
SMILESCCCCn1c(CCC(=O)OCc2ccccn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H30N4O5S/c1-2-3-12-28-22-8-7-20(34(30,31)27-13-15-32-16-14-27)17-21(22)26-23(28)9-10-24(29)33-18-19-6-4-5-11-25-19/h4-8,11,17H,2-3,9-10,12-16,18H2,1H3
InChIKeyXHLOBHFRQZPLCX-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.93
Rot. Bonds10

About pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate

pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate (PubChem CID 43009106) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
PubChem CID43009106
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Namepyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
SMILESCCCCn1c(CCC(=O)OCc2ccccn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H30N4O5S/c1-2-3-12-28-22-8-7-20(34(30,31)27-13-15-32-16-14-27)17-21(22)26-23(28)9-10-24(29)33-18-19-6-4-5-11-25-19/h4-8,11,17H,2-3,9-10,12-16,18H2,1H3
InChIKeyXHLOBHFRQZPLCX-UHFFFAOYSA-N
XLogP2.93
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethoxyethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
CID 55354979
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
CID 24652592
(2-oxo-2-propan-2-yloxyethyl) 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
CID 55441699
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
CID 3682630
N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 55345807
(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl oxane-4-carboxylate
CID 55375075
N'-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]pyridine-2-carbohydrazide
CID 26533642
N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 42547246
N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 39753156
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-methylpropanoate
CID 7765982
(4-cyano-2-methoxyphenyl) 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
CID 26891983
2-O-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504834

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate?
The IUPAC name of pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate (CID 43009106) is pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate.
What is the SMILES notation for pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate?
The canonical SMILES for pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate is CCCCn1c(CCC(=O)OCc2ccccn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate?
The InChIKey is XHLOBHFRQZPLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-2-3-12-28-22-8-7-20(34(30,31)27-13-15-32-16-14-27)17-21(22)26-23(28)9-10-24(29)33-18-19-6-4-5-11-25-19/h4-8,11,17H,2-3,9-10,12-16,18H2,1H3.
What are the key properties of pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate?
pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate has a molecular weight of 486.59 g/mol, XLogP of 2.93, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate is sourced from PubChem (CID 43009106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).