1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine

C16H25FN4 — CID 82311438

IUPAC1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine
SMILESCCC(N)Cn1c(C(CC)N(C)C)nc2cc(F)ccc21
InChIInChI=1S/C16H25FN4/c1-5-12(18)10-21-15-8-7-11(17)9-13(15)19-16(21)14(6-2)20(3)4/h7-9,12,14H,5-6,10,18H2,1-4H3
InChIKeyAUJBBLCQXBQNON-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.93
Rot. Bonds6

About 1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine

1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine (PubChem CID 82311438) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine
PubChem CID82311438
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine
SMILESCCC(N)Cn1c(C(CC)N(C)C)nc2cc(F)ccc21
InChIInChI=1S/C16H25FN4/c1-5-12(18)10-21-15-8-7-11(17)9-13(15)19-16(21)14(6-2)20(3)4/h7-9,12,14H,5-6,10,18H2,1-4H3
InChIKeyAUJBBLCQXBQNON-UHFFFAOYSA-N
XLogP2.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine
CID 82311440
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile
CID 82311236
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole
CID 113477854
2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile
CID 82311242
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54920104
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311241
4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
CID 82310864
2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
CID 82332408
2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol
CID 82311768

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine?
The IUPAC name of 1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine (CID 82311438) is 1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine.
What is the SMILES notation for 1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine?
The canonical SMILES for 1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine is CCC(N)Cn1c(C(CC)N(C)C)nc2cc(F)ccc21.
What is the InChIKey of 1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine?
The InChIKey is AUJBBLCQXBQNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-5-12(18)10-21-15-8-7-11(17)9-13(15)19-16(21)14(6-2)20(3)4/h7-9,12,14H,5-6,10,18H2,1-4H3.
What are the key properties of 1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine?
1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine has a molecular weight of 292.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine is sourced from PubChem (CID 82311438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).