2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline

C10H11FN4 — CID 82507077

IUPAC2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline
SMILESNCc1cc(-n2ccnc2)c(F)cc1N
InChIInChI=1S/C10H11FN4/c11-8-4-9(13)7(5-12)3-10(8)15-2-1-14-6-15/h1-4,6H,5,12-13H2
InChIKeyHBSGTGCPBWOJCM-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.05
Rot. Bonds2

About 2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline

2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline (PubChem CID 82507077) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline
PubChem CID82507077
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline
SMILESNCc1cc(-n2ccnc2)c(F)cc1N
InChIInChI=1S/C10H11FN4/c11-8-4-9(13)7(5-12)3-10(8)15-2-1-14-6-15/h1-4,6H,5,12-13H2
InChIKeyHBSGTGCPBWOJCM-UHFFFAOYSA-N
XLogP1.05
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline?
The IUPAC name of 2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline (CID 82507077) is 2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline is NCc1cc(-n2ccnc2)c(F)cc1N.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline?
The InChIKey is HBSGTGCPBWOJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-8-4-9(13)7(5-12)3-10(8)15-2-1-14-6-15/h1-4,6H,5,12-13H2.
What are the key properties of 2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline?
2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline has a molecular weight of 206.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-4-imidazol-1-ylaniline is sourced from PubChem (CID 82507077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).