3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide

C26H34N4O4S — CID 55908101

IUPAC3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccccc1CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C
InChIInChI=1S/C26H34N4O4S/c1-19(2)34-24-10-6-5-9-20(24)18-27-26(31)14-13-25-28-22-17-21(11-12-23(22)29(25)3)35(32,33)30-15-7-4-8-16-30/h5-6,9-12,17,19H,4,7-8,13-16,18H2,1-3H3,(H,27,31)
InChIKeyUFGFGTSQESEDRE-UHFFFAOYSA-N
MW498.65 g/mol
LogP3.78
Rot. Bonds9

About 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide

3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 55908101) has the molecular formula C26H34N4O4S and a molecular weight of 498.65 g/mol. Its IUPAC name is 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID55908101
Molecular FormulaC26H34N4O4S
Molecular Weight498.65 g/mol
Exact Mass498.23
IUPAC Name3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccccc1CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C
InChIInChI=1S/C26H34N4O4S/c1-19(2)34-24-10-6-5-9-20(24)18-27-26(31)14-13-25-28-22-17-21(11-12-23(22)29(25)3)35(32,33)30-15-7-4-8-16-30/h5-6,9-12,17,19H,4,7-8,13-16,18H2,1-3H3,(H,27,31)
InChIKeyUFGFGTSQESEDRE-UHFFFAOYSA-N
XLogP3.78
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 27756872
N-[(4-fluorophenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 4881682
N-(3-hydroxypropyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 70708631
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 40606681
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 43005992
N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-propan-2-ylpropanamide
CID 78843860
N-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 41277799
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 43005077
1-(azepan-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 27658996
2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide
CID 34263110
ethyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 43002313
N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 56684354

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide (CID 55908101) is 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide is CC(C)Oc1ccccc1CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C.
What is the InChIKey of 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is UFGFGTSQESEDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4S/c1-19(2)34-24-10-6-5-9-20(24)18-27-26(31)14-13-25-28-22-17-21(11-12-23(22)29(25)3)35(32,33)30-15-7-4-8-16-30/h5-6,9-12,17,19H,4,7-8,13-16,18H2,1-3H3,(H,27,31).
What are the key properties of 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 498.65 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 55908101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).