N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine

C15H17FN4OS — CID 146144878

IUPACN-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine
SMILESCOc1nscc1C(C)NCc1nc2cc(F)ccc2n1C
InChIInChI=1S/C15H17FN4OS/c1-9(11-8-22-19-15(11)21-3)17-7-14-18-12-6-10(16)4-5-13(12)20(14)2/h4-6,8-9,17H,7H2,1-3H3
InChIKeyMUFLNTJESKKCON-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.03
Rot. Bonds5

About N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine

N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine (PubChem CID 146144878) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine
PubChem CID146144878
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC NameN-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine
SMILESCOc1nscc1C(C)NCc1nc2cc(F)ccc2n1C
InChIInChI=1S/C15H17FN4OS/c1-9(11-8-22-19-15(11)21-3)17-7-14-18-12-6-10(16)4-5-13(12)20(14)2/h4-6,8-9,17H,7H2,1-3H3
InChIKeyMUFLNTJESKKCON-UHFFFAOYSA-N
XLogP3.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine (CID 146144878) is N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine is COc1nscc1C(C)NCc1nc2cc(F)ccc2n1C.
What is the InChIKey of N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine?
The InChIKey is MUFLNTJESKKCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c1-9(11-8-22-19-15(11)21-3)17-7-14-18-12-6-10(16)4-5-13(12)20(14)2/h4-6,8-9,17H,7H2,1-3H3.
What are the key properties of N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine?
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine has a molecular weight of 320.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-1-(3-methoxy-1,2-thiazol-4-yl)ethanamine is sourced from PubChem (CID 146144878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).