5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine

C12H12FN5 — CID 54951192

IUPAC5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1CCn1ccnc1
InChIInChI=1S/C12H12FN5/c13-9-1-2-11-10(7-9)16-12(14)18(11)6-5-17-4-3-15-8-17/h1-4,7-8H,5-6H2,(H2,14,16)
InChIKeyDTAXEWGXPAILAT-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.65
Rot. Bonds3

About 5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine

5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine (PubChem CID 54951192) has the molecular formula C12H12FN5 and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
PubChem CID54951192
Molecular FormulaC12H12FN5
Molecular Weight245.26 g/mol
Exact Mass245.11
IUPAC Name5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1CCn1ccnc1
InChIInChI=1S/C12H12FN5/c13-9-1-2-11-10(7-9)16-12(14)18(11)6-5-17-4-3-15-8-17/h1-4,7-8H,5-6H2,(H2,14,16)
InChIKeyDTAXEWGXPAILAT-UHFFFAOYSA-N
XLogP1.65
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine (CID 54951192) is 5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine is Nc1nc2cc(F)ccc2n1CCn1ccnc1.
What is the InChIKey of 5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine?
The InChIKey is DTAXEWGXPAILAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5/c13-9-1-2-11-10(7-9)16-12(14)18(11)6-5-17-4-3-15-8-17/h1-4,7-8H,5-6H2,(H2,14,16).
What are the key properties of 5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine?
5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine has a molecular weight of 245.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 54951192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).