[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine

C12H13FN6 — CID 115458013

IUPAC[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine
SMILESCn1c(Cn2cc(CN)nn2)nc2cc(F)ccc21
InChIInChI=1S/C12H13FN6/c1-18-11-3-2-8(13)4-10(11)15-12(18)7-19-6-9(5-14)16-17-19/h2-4,6H,5,7,14H2,1H3
InChIKeyOGWKJGKJPMMJER-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.81
Rot. Bonds3

About [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine

[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine (PubChem CID 115458013) has the molecular formula C12H13FN6 and a molecular weight of 260.28 g/mol. Its IUPAC name is [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine
PubChem CID115458013
Molecular FormulaC12H13FN6
Molecular Weight260.28 g/mol
Exact Mass260.12
IUPAC Name[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine
SMILESCn1c(Cn2cc(CN)nn2)nc2cc(F)ccc21
InChIInChI=1S/C12H13FN6/c1-18-11-3-2-8(13)4-10(11)15-12(18)7-19-6-9(5-14)16-17-19/h2-4,6H,5,7,14H2,1H3
InChIKeyOGWKJGKJPMMJER-UHFFFAOYSA-N
XLogP0.81
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 55029615
2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
CID 82332311
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
CID 60783423
3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one
CID 146348514
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772670
2-[2-[[4-(aminomethyl)triazol-1-yl]methyl]benzimidazol-1-yl]ethanol
CID 115458039
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332049
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine (CID 115458013) is [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine is Cn1c(Cn2cc(CN)nn2)nc2cc(F)ccc21.
What is the InChIKey of [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is OGWKJGKJPMMJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN6/c1-18-11-3-2-8(13)4-10(11)15-12(18)7-19-6-9(5-14)16-17-19/h2-4,6H,5,7,14H2,1H3.
What are the key properties of [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine?
[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 260.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 115458013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).