N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide

C17H23N3OS — CID 2531246

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide
SMILESCSCC[C@H](NC(=O)C1CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H23N3OS/c1-22-11-10-15(20-17(21)12-6-2-3-7-12)16-18-13-8-4-5-9-14(13)19-16/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyUPCVEELDZLUONI-HNNXBMFYSA-N
MW317.46 g/mol
LogP3.66
Rot. Bonds6

About N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide (PubChem CID 2531246) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide
PubChem CID2531246
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide
SMILESCSCC[C@H](NC(=O)C1CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H23N3OS/c1-22-11-10-15(20-17(21)12-6-2-3-7-12)16-18-13-8-4-5-9-14(13)19-16/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyUPCVEELDZLUONI-HNNXBMFYSA-N
XLogP3.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride
CID 119855269
3-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119855277
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-propanoylpiperidine-3-carboxamide
CID 51960823
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 47066856
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597252
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 119855298
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
CID 2114874
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(methylamino)butanamide;dihydrochloride
CID 119855271
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]hexanamide
CID 46603847
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 125141542
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51425636
3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 4878970

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide (CID 2531246) is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide is CSCC[C@H](NC(=O)C1CCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide?
The InChIKey is UPCVEELDZLUONI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-22-11-10-15(20-17(21)12-6-2-3-7-12)16-18-13-8-4-5-9-14(13)19-16/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,18,19)(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide is sourced from PubChem (CID 2531246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).