2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide

C22H28N4OS — CID 49215203

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C22H28N4OS/c1-2-21-24-19-9-3-4-10-20(19)26(21)16-22(27)23-13-17-7-5-11-25(14-17)15-18-8-6-12-28-18/h3-4,6,8-10,12,17H,2,5,7,11,13-16H2,1H3,(H,23,27)
InChIKeyDZADNJBCBURCQN-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.69
Rot. Bonds7

About 2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide

2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide (PubChem CID 49215203) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
PubChem CID49215203
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C22H28N4OS/c1-2-21-24-19-9-3-4-10-20(19)26(21)16-22(27)23-13-17-7-5-11-25(14-17)15-18-8-6-12-28-18/h3-4,6,8-10,12,17H,2,5,7,11,13-16H2,1H3,(H,23,27)
InChIKeyDZADNJBCBURCQN-UHFFFAOYSA-N
XLogP3.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 94819206
N-methyl-N-[2-oxo-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]ethyl]benzamide
CID 49214789
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 111351704
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 119865360
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
3-(2-aminophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 120612729
2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056672
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 49215225
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide (CID 49215203) is 2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide is CCc1nc2ccccc2n1CC(=O)NCC1CCCN(Cc2cccs2)C1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is DZADNJBCBURCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-2-21-24-19-9-3-4-10-20(19)26(21)16-22(27)23-13-17-7-5-11-25(14-17)15-18-8-6-12-28-18/h3-4,6,8-10,12,17H,2,5,7,11,13-16H2,1H3,(H,23,27).
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?
2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 396.56 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 49215203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).