2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine

C13H14FN5 — CID 107495782

IUPAC2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
SMILESCn1c(-c2cn(CCN)cn2)nc2cc(F)ccc21
InChIInChI=1S/C13H14FN5/c1-18-12-3-2-9(14)6-10(12)17-13(18)11-7-19(5-4-15)8-16-11/h2-3,6-8H,4-5,15H2,1H3
InChIKeySUABBIACXUMKHO-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.53
Rot. Bonds3

About 2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine

2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine (PubChem CID 107495782) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
PubChem CID107495782
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
SMILESCn1c(-c2cn(CCN)cn2)nc2cc(F)ccc21
InChIInChI=1S/C13H14FN5/c1-18-12-3-2-9(14)6-10(12)17-13(18)11-7-19(5-4-15)8-16-11/h2-3,6-8H,4-5,15H2,1H3
InChIKeySUABBIACXUMKHO-UHFFFAOYSA-N
XLogP1.53
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine (CID 107495782) is 2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine is Cn1c(-c2cn(CCN)cn2)nc2cc(F)ccc21.
What is the InChIKey of 2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine?
The InChIKey is SUABBIACXUMKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-18-12-3-2-9(14)6-10(12)17-13(18)11-7-19(5-4-15)8-16-11/h2-3,6-8H,4-5,15H2,1H3.
What are the key properties of 2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine?
2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine has a molecular weight of 259.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 107495782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).