N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide

C22H26N4O3S — CID 95772173

IUPACN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESC[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1nc2ccccc2n1C
InChIInChI=1S/C22H26N4O3S/c1-16(21-24-18-11-5-6-12-19(18)25(21)2)23-22(27)17-10-4-7-13-20(17)30(28,29)26-14-8-3-9-15-26/h4-7,10-13,16H,3,8-9,14-15H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyDOLYIHXVBFLNKR-MRXNPFEDSA-N
MW426.54 g/mol
LogP3.24
Rot. Bonds5

About N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide

N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 95772173) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
PubChem CID95772173
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESC[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1nc2ccccc2n1C
InChIInChI=1S/C22H26N4O3S/c1-16(21-24-18-11-5-6-12-19(18)25(21)2)23-22(27)17-10-4-7-13-20(17)30(28,29)26-14-8-3-9-15-26/h4-7,10-13,16H,3,8-9,14-15H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyDOLYIHXVBFLNKR-MRXNPFEDSA-N
XLogP3.24
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 95772183
2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
CID 119223642
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55588295
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
CID 119109932
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16967636
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide
CID 125436765

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide (CID 95772173) is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide is C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DOLYIHXVBFLNKR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-16(21-24-18-11-5-6-12-19(18)25(21)2)23-22(27)17-10-4-7-13-20(17)30(28,29)26-14-8-3-9-15-26/h4-7,10-13,16H,3,8-9,14-15H2,1-2H3,(H,23,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 426.54 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 95772173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).