6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine

C12H11ClN4S — CID 113316213

IUPAC6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1CCc1cscn1
InChIInChI=1S/C12H11ClN4S/c13-8-1-2-10-11(5-8)17(12(14)16-10)4-3-9-6-18-7-15-9/h1-2,5-7H,3-4H2,(H2,14,16)
InChIKeyLWQUYIQWFSPFFF-UHFFFAOYSA-N
MW278.77 g/mol
LogP2.97
Rot. Bonds3

About 6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine

6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine (PubChem CID 113316213) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
PubChem CID113316213
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1CCc1cscn1
InChIInChI=1S/C12H11ClN4S/c13-8-1-2-10-11(5-8)17(12(14)16-10)4-3-9-6-18-7-15-9/h1-2,5-7H,3-4H2,(H2,14,16)
InChIKeyLWQUYIQWFSPFFF-UHFFFAOYSA-N
XLogP2.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406239
6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 63825683
6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
2-(chloromethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-5-carbonitrile
CID 104715767
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651
6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
CID 115470600
6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375087
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654
4-[2-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63825170
5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine
CID 66076958

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine (CID 113316213) is 6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine is Nc1nc2ccc(Cl)cc2n1CCc1cscn1.
What is the InChIKey of 6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine?
The InChIKey is LWQUYIQWFSPFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c13-8-1-2-10-11(5-8)17(12(14)16-10)4-3-9-6-18-7-15-9/h1-2,5-7H,3-4H2,(H2,14,16).
What are the key properties of 6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine?
6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine has a molecular weight of 278.77 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 113316213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).