3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide

C20H30N4O3S — CID 51597252

IUPAC3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide
SMILESCc1cc(C)c2nc(CCC(=O)NCCS(=O)(=O)N3CCCC[C@H]3C)[nH]c2c1
InChIInChI=1S/C20H30N4O3S/c1-14-12-15(2)20-17(13-14)22-18(23-20)7-8-19(25)21-9-11-28(26,27)24-10-5-4-6-16(24)3/h12-13,16H,4-11H2,1-3H3,(H,21,25)(H,22,23)/t16-/m1/s1
InChIKeyVYKQQEAHONNZQH-MRXNPFEDSA-N
MW406.55 g/mol
LogP2.43
Rot. Bonds7

About 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide

3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide (PubChem CID 51597252) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide
PubChem CID51597252
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC Name3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide
SMILESCc1cc(C)c2nc(CCC(=O)NCCS(=O)(=O)N3CCCC[C@H]3C)[nH]c2c1
InChIInChI=1S/C20H30N4O3S/c1-14-12-15(2)20-17(13-14)22-18(23-20)7-8-19(25)21-9-11-28(26,27)24-10-5-4-6-16(24)3/h12-13,16H,4-11H2,1-3H3,(H,21,25)(H,22,23)/t16-/m1/s1
InChIKeyVYKQQEAHONNZQH-MRXNPFEDSA-N
XLogP2.43
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4,6-dimethyl-1H-benzimidazol-2-yl)propanamide
CID 46972839
2-(2-cyclopentylethyl)-4,6-dimethyl-1H-benzimidazole
CID 82947663
3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 51081190
N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 18582812
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide
CID 110163679
N-[(4S,5S)-1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)propanoyl]-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110162800
N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine
CID 82947806
3-(4-methyl-1H-benzimidazol-2-yl)-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 166227033
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide
CID 155989816
3-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]sulfonylethyl]benzamide
CID 51596446
2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
CID 82007491
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 44924530

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide (CID 51597252) is 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide is Cc1cc(C)c2nc(CCC(=O)NCCS(=O)(=O)N3CCCC[C@H]3C)[nH]c2c1.
What is the InChIKey of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide?
The InChIKey is VYKQQEAHONNZQH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-14-12-15(2)20-17(13-14)22-18(23-20)7-8-19(25)21-9-11-28(26,27)24-10-5-4-6-16(24)3/h12-13,16H,4-11H2,1-3H3,(H,21,25)(H,22,23)/t16-/m1/s1.
What are the key properties of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide?
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide has a molecular weight of 406.55 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]propanamide is sourced from PubChem (CID 51597252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).