N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine

C23H23N5S — CID 126761058

IUPACN-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine
SMILESc1ccc2c(c1)[nH]c1ncc(Cc3ccc4nc(NC5CCCCC5)sc4c3)n12
InChIInChI=1S/C23H23N5S/c1-2-6-16(7-3-1)25-23-27-19-11-10-15(13-21(19)29-23)12-17-14-24-22-26-18-8-4-5-9-20(18)28(17)22/h4-5,8-11,13-14,16H,1-3,6-7,12H2,(H,24,26)(H,25,27)
InChIKeyRIQMYAPDTWNZKM-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.76
Rot. Bonds4

About N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine

N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 126761058) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID126761058
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC NameN-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine
SMILESc1ccc2c(c1)[nH]c1ncc(Cc3ccc4nc(NC5CCCCC5)sc4c3)n12
InChIInChI=1S/C23H23N5S/c1-2-6-16(7-3-1)25-23-27-19-11-10-15(13-21(19)29-23)12-17-14-24-22-26-18-8-4-5-9-20(18)28(17)22/h4-5,8-11,13-14,16H,1-3,6-7,12H2,(H,24,26)(H,25,27)
InChIKeyRIQMYAPDTWNZKM-UHFFFAOYSA-N
XLogP5.76
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 123583455
N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine
CID 126761056
2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 78108240
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
trans-(1R,2R)-2-[[6-(imidazo[2,1-b][1,3]thiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 86681153
N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 123235378
3-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 126761236
trans-(1R,2R)-2-[[6-[[6-(hydroxymethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498852
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 172834786
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
N-[(2R)-2-[[6-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexylidene]hydroxylamine
CID 172846110

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine (CID 126761058) is N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine is c1ccc2c(c1)[nH]c1ncc(Cc3ccc4nc(NC5CCCCC5)sc4c3)n12.
What is the InChIKey of N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is RIQMYAPDTWNZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-2-6-16(7-3-1)25-23-27-19-11-10-15(13-21(19)29-23)12-17-14-24-22-26-18-8-4-5-9-20(18)28(17)22/h4-5,8-11,13-14,16H,1-3,6-7,12H2,(H,24,26)(H,25,27).
What are the key properties of N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine?
N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 401.54 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(4H-imidazo[1,2-a]benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 126761058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).