6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine

C21H20BrFN4S — CID 126761285

IUPAC6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESFc1cc(Br)cc2ncn(Cc3ccc4nc(NC5CCCCC5)sc4c3)c12
InChIInChI=1S/C21H20BrFN4S/c22-14-9-16(23)20-18(10-14)24-12-27(20)11-13-6-7-17-19(8-13)28-21(26-17)25-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H,25,26)
InChIKeyLRPCDFHPRSYRHA-UHFFFAOYSA-N
MW459.39 g/mol
LogP6.34
Rot. Bonds4

About 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine

6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine (PubChem CID 126761285) has the molecular formula C21H20BrFN4S and a molecular weight of 459.39 g/mol. Its IUPAC name is 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine
PubChem CID126761285
Molecular FormulaC21H20BrFN4S
Molecular Weight459.39 g/mol
Exact Mass458.06
IUPAC Name6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESFc1cc(Br)cc2ncn(Cc3ccc4nc(NC5CCCCC5)sc4c3)c12
InChIInChI=1S/C21H20BrFN4S/c22-14-9-16(23)20-18(10-14)24-12-27(20)11-13-6-7-17-19(8-13)28-21(26-17)25-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H,25,26)
InChIKeyLRPCDFHPRSYRHA-UHFFFAOYSA-N
XLogP6.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.39
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

3-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 126761236
N-cyclohexyl-6-[[5-(oxetan-3-yloxy)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-amine
CID 126761060
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
2-[[6-[(5,6-difluorobenzimidazol-1-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89499106
N-cyclohexyl-6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 123235378
(E)-3-[1-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]methyl]benzimidazol-5-yl]prop-2-enoic acid
CID 126761159
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
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
6-(imidazo[4,5-b]pyridin-3-ylmethyl)-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 123216323
trans-(1R,2R)-2-[[6-[(6-bromo-5-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498650
trans-(1R,2R)-2-[[6-[[5-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 86681118

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine (CID 126761285) is 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine is Fc1cc(Br)cc2ncn(Cc3ccc4nc(NC5CCCCC5)sc4c3)c12.
What is the InChIKey of 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The InChIKey is LRPCDFHPRSYRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN4S/c22-14-9-16(23)20-18(10-14)24-12-27(20)11-13-6-7-17-19(8-13)28-21(26-17)25-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H,25,26).
What are the key properties of 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine?
6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine has a molecular weight of 459.39 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-7-fluorobenzimidazol-1-yl)methyl]-N-cyclohexyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 126761285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).