N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine

C12H16FN3 — CID 82335854

IUPACN-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
SMILESCCN(CC)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H16FN3/c1-3-16(4-2)8-12-14-10-6-5-9(13)7-11(10)15-12/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyPQMLOWZZUDFIBO-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.54
Rot. Bonds4

About N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine

N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine (PubChem CID 82335854) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
PubChem CID82335854
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC NameN-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
SMILESCCN(CC)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H16FN3/c1-3-16(4-2)8-12-14-10-6-5-9(13)7-11(10)15-12/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyPQMLOWZZUDFIBO-UHFFFAOYSA-N
XLogP2.54
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 118794142
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 82335842
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82335876
1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 131930499
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine (CID 82335854) is N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine is CCN(CC)Cc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine?
The InChIKey is PQMLOWZZUDFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-3-16(4-2)8-12-14-10-6-5-9(13)7-11(10)15-12/h5-7H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine?
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine has a molecular weight of 221.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 82335854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).