N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine

C16H25FN4 — CID 82310769

IUPACN-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc2cc(F)ccc2n1CCCN
InChIInChI=1S/C16H25FN4/c1-3-4-9-20(2)12-16-19-14-11-13(17)6-7-15(14)21(16)10-5-8-18/h6-7,11H,3-5,8-10,12,18H2,1-2H3
InChIKeyJCAYYTMZVQNYIC-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.76
Rot. Bonds8

About N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine

N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine (PubChem CID 82310769) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
PubChem CID82310769
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC NameN-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc2cc(F)ccc2n1CCCN
InChIInChI=1S/C16H25FN4/c1-3-4-9-20(2)12-16-19-14-11-13(17)6-7-15(14)21(16)10-5-8-18/h6-7,11H,3-5,8-10,12,18H2,1-2H3
InChIKeyJCAYYTMZVQNYIC-UHFFFAOYSA-N
XLogP2.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine (CID 82310769) is N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1nc2cc(F)ccc2n1CCCN.
What is the InChIKey of N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is JCAYYTMZVQNYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-3-4-9-20(2)12-16-19-14-11-13(17)6-7-15(14)21(16)10-5-8-18/h6-7,11H,3-5,8-10,12,18H2,1-2H3.
What are the key properties of N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 292.40 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 82310769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).