methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate

C15H19N3O2S — CID 79645439

IUPACmethyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(Sc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H19N3O2S/c1-16-15(13(19)20-2)8-7-10(9-15)21-14-17-11-5-3-4-6-12(11)18-14/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyRUHQWUIKFOCZOC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.34
Rot. Bonds4

About methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate

methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79645439) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79645439
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Namemethyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(Sc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H19N3O2S/c1-16-15(13(19)20-2)8-7-10(9-15)21-14-17-11-5-3-4-6-12(11)18-14/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyRUHQWUIKFOCZOC-UHFFFAOYSA-N
XLogP2.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate with MolForge

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Related Compounds

1-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 79646456
1-amino-3-(1H-benzimidazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79654615
methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654095
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683
methyl 3-(1H-benzimidazol-2-yl)oxetane-3-carboxylate
CID 116985512
methyl 1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate
CID 79635854
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 2627561
methyl 3-phenylsulfanyl-1-(propylamino)cyclopentane-1-carboxylate
CID 79653522
methyl 3-[2-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79648403
1H-benzimidazol-2-ylsulfanyl acetate
CID 57284841
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
ethyl 1-(methylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexane-1-carboxylate
CID 79634002

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate (CID 79645439) is methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(Sc2nc3ccccc3[nH]2)C1.
What is the InChIKey of methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is RUHQWUIKFOCZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-16-15(13(19)20-2)8-7-10(9-15)21-14-17-11-5-3-4-6-12(11)18-14/h3-6,10,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate?
methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79645439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).