1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile

C16H20N4S — CID 79644889

IUPAC1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Sc2nc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C16H20N4S/c1-3-18-16(10-17)7-6-12(9-16)21-15-19-13-5-4-11(2)8-14(13)20-15/h4-5,8,12,18H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyYENPZEXUPMHMNT-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.39
Rot. Bonds4

About 1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile

1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile (PubChem CID 79644889) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
PubChem CID79644889
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Sc2nc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C16H20N4S/c1-3-18-16(10-17)7-6-12(9-16)21-15-19-13-5-4-11(2)8-14(13)20-15/h4-5,8,12,18H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyYENPZEXUPMHMNT-UHFFFAOYSA-N
XLogP3.39
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 79646456
1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile
CID 114000924
trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 102735731
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 79649908
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 115383406
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid
CID 80997558
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626442
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]azepan-2-one
CID 17461847
2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanenitrile
CID 60656440
(3R)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]oxolan-2-one
CID 7247501
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile (CID 79644889) is 1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Sc2nc3ccc(C)cc3[nH]2)C1.
What is the InChIKey of 1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The InChIKey is YENPZEXUPMHMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-3-18-16(10-17)7-6-12(9-16)21-15-19-13-5-4-11(2)8-14(13)20-15/h4-5,8,12,18H,3,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile has a molecular weight of 300.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79644889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).