N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

C15H18FN5S — CID 118794142

IUPACN-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCCN(CCc1nc2ccc(F)cc2[nH]1)Cc1nnc(C)s1
InChIInChI=1S/C15H18FN5S/c1-3-21(9-15-20-19-10(2)22-15)7-6-14-17-12-5-4-11(16)8-13(12)18-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyBQRDKLPXNDQWKN-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (PubChem CID 118794142) has the molecular formula C15H18FN5S and a molecular weight of 319.41 g/mol. Its IUPAC name is N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
PubChem CID118794142
Molecular FormulaC15H18FN5S
Molecular Weight319.41 g/mol
Exact Mass319.13
IUPAC NameN-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCCN(CCc1nc2ccc(F)cc2[nH]1)Cc1nnc(C)s1
InChIInChI=1S/C15H18FN5S/c1-3-21(9-15-20-19-10(2)22-15)7-6-14-17-12-5-4-11(16)8-13(12)18-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyBQRDKLPXNDQWKN-UHFFFAOYSA-N
XLogP2.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone
CID 46996454
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide
CID 143212121
2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide
CID 103101302
6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978921
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (CID 118794142) is N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is CCN(CCc1nc2ccc(F)cc2[nH]1)Cc1nnc(C)s1.
What is the InChIKey of N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The InChIKey is BQRDKLPXNDQWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5S/c1-3-21(9-15-20-19-10(2)22-15)7-6-14-17-12-5-4-11(16)8-13(12)18-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine has a molecular weight of 319.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 118794142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).