N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine

C16H24FN3 — CID 82335865

IUPACN-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H24FN3/c1-3-5-9-20(10-6-4-2)12-16-18-14-8-7-13(17)11-15(14)19-16/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyJFVVYHSWDKXJJA-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.10
Rot. Bonds8

About N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine

N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine (PubChem CID 82335865) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
PubChem CID82335865
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC NameN-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H24FN3/c1-3-5-9-20(10-6-4-2)12-16-18-14-8-7-13(17)11-15(14)19-16/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyJFVVYHSWDKXJJA-UHFFFAOYSA-N
XLogP4.10
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82335876
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 131930499
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82336677
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336306
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine (CID 82335865) is N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine is CCCCN(CCCC)Cc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is JFVVYHSWDKXJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-3-5-9-20(10-6-4-2)12-16-18-14-8-7-13(17)11-15(14)19-16/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine?
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 82335865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).