[2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol

C22H24N4OS — CID 123678159

IUPAC[2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1nc2ccc(Cn3cnc4ccccc43)cc2s1
InChIInChI=1S/C22H24N4OS/c27-13-16-5-1-2-6-17(16)24-22-25-19-10-9-15(11-21(19)28-22)12-26-14-23-18-7-3-4-8-20(18)26/h3-4,7-11,14,16-17,27H,1-2,5-6,12-13H2,(H,24,25)
InChIKeyRCWNXTNUQXVERX-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.66
Rot. Bonds5

About [2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol

[2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol (PubChem CID 123678159) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is [2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol
PubChem CID123678159
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name[2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1nc2ccc(Cn3cnc4ccccc43)cc2s1
InChIInChI=1S/C22H24N4OS/c27-13-16-5-1-2-6-17(16)24-22-25-19-10-9-15(11-21(19)28-22)12-26-14-23-18-7-3-4-8-20(18)26/h3-4,7-11,14,16-17,27H,1-2,5-6,12-13H2,(H,24,25)
InChIKeyRCWNXTNUQXVERX-UHFFFAOYSA-N
XLogP4.66
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,2R)-2-[[6-(imidazo[4,5-b]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol
CID 71550416
2-[[6-[(5,6-difluorobenzimidazol-1-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89499106
2-[[6-[[5-(2-hydroxyethoxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498779
trans-(1R,2R)-2-[[6-[[5-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 86681118
1-[[2-[(2-hydroxycyclohexyl)amino]-1,3-benzothiazol-6-yl]methyl]benzimidazole-5-carbonitrile
CID 78107821
6-(imidazo[4,5-b]pyridin-3-ylmethyl)-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 123216323
2-[[6-[[5-(bromomethoxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 172729704
trans-(1R,2R)-2-[[6-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498450
3-[[2-[(2-hydroxycyclohexyl)amino]-1,3-benzothiazol-6-yl]methyl]-6-methoxybenzimidazole-5-carbonitrile
CID 78108173
cis-(1S,2R)-2-[[6-[(6-bromoimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 71549722
trans-(1R,2R)-2-[[6-[[6-(methylsulfanylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 71550850
2-[[6-[(5-methylsulfonylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 78107776

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol (CID 123678159) is [2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol is OCC1CCCCC1Nc1nc2ccc(Cn3cnc4ccccc43)cc2s1.
What is the InChIKey of [2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol?
The InChIKey is RCWNXTNUQXVERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-13-16-5-1-2-6-17(16)24-22-25-19-10-9-15(11-21(19)28-22)12-26-14-23-18-7-3-4-8-20(18)26/h3-4,7-11,14,16-17,27H,1-2,5-6,12-13H2,(H,24,25).
What are the key properties of [2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol?
[2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol has a molecular weight of 392.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 123678159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).