3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide

C20H24N4OS — CID 110259955

IUPAC3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1CC1CCCCN1Cc1ncc[nH]1
InChIInChI=1S/C20H24N4OS/c1-21-20(25)19-16(15-7-2-3-8-17(15)26-19)12-14-6-4-5-11-24(14)13-18-22-9-10-23-18/h2-3,7-10,14H,4-6,11-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyYEUAISOAHXADEW-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.58
Rot. Bonds5

About 3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide

3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 110259955) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID110259955
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1CC1CCCCN1Cc1ncc[nH]1
InChIInChI=1S/C20H24N4OS/c1-21-20(25)19-16(15-7-2-3-8-17(15)26-19)12-14-6-4-5-11-24(14)13-18-22-9-10-23-18/h2-3,7-10,14H,4-6,11-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyYEUAISOAHXADEW-UHFFFAOYSA-N
XLogP3.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[(2S)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 46236392
N-(3-imidazol-1-ylpropyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4786895
N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-3-carboxamide
CID 2970959
N,N-bis(1H-imidazol-2-ylmethyl)-4-[[8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]benzamide
CID 11678324
N-(2-amino-1-phenylethyl)-4-(pyridin-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803300
N-(2-amino-1-phenylethyl)-4-cyclopropyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803303
N-(2-amino-1-phenylethyl)-4-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803787
N-(2-amino-1-phenylethyl)-4-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803956
N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24805271
N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24805272
N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
CID 24805275
N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
CID 24805277

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide (CID 110259955) is 3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide is CNC(=O)c1sc2ccccc2c1CC1CCCCN1Cc1ncc[nH]1.
What is the InChIKey of 3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is YEUAISOAHXADEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-21-20(25)19-16(15-7-2-3-8-17(15)26-19)12-14-6-4-5-11-24(14)13-18-22-9-10-23-18/h2-3,7-10,14H,4-6,11-13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide?
3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110259955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).