[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol

C14H19N3OS — CID 79645068

IUPAC[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(Sc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H19N3OS/c1-15-14(9-18)7-6-10(8-14)19-13-16-11-4-2-3-5-12(11)17-13/h2-5,10,15,18H,6-9H2,1H3,(H,16,17)
InChIKeyAWSZUVHFFFWTRW-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.16
Rot. Bonds4

About [3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol

[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol (PubChem CID 79645068) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol
PubChem CID79645068
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(Sc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H19N3OS/c1-15-14(9-18)7-6-10(8-14)19-13-16-11-4-2-3-5-12(11)17-13/h2-5,10,15,18H,6-9H2,1H3,(H,16,17)
InChIKeyAWSZUVHFFFWTRW-UHFFFAOYSA-N
XLogP2.16
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79645439
1-amino-3-(1H-benzimidazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79654615
1-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 79646456
[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol
CID 79647631
[1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol
CID 55129797
2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanyl-1H-benzimidazole;hydrochloride
CID 141037025
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 61386461
[1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol
CID 107784575
2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
CID 64621304
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 2627561
(2S,4S)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2-diphenylethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 42164678
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol (CID 79645068) is [3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCC(Sc2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol?
The InChIKey is AWSZUVHFFFWTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-15-14(9-18)7-6-10(8-14)19-13-16-11-4-2-3-5-12(11)17-13/h2-5,10,15,18H,6-9H2,1H3,(H,16,17).
What are the key properties of [3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol?
[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol has a molecular weight of 277.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79645068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).