N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

C16H14FN5O — CID 82563672

IUPACN-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc1nc(NCc3ccccc3F)[nH]n12
InChIInChI=1S/C16H14FN5O/c1-23-11-6-7-14-13(8-11)19-16-20-15(21-22(14)16)18-9-10-4-2-3-5-12(10)17/h2-8H,9H2,1H3,(H2,18,19,20,21)
InChIKeyROYNYEKKACMJHX-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.97
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (PubChem CID 82563672) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
PubChem CID82563672
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC NameN-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc1nc(NCc3ccccc3F)[nH]n12
InChIInChI=1S/C16H14FN5O/c1-23-11-6-7-14-13(8-11)19-16-20-15(21-22(14)16)18-9-10-4-2-3-5-12(10)17/h2-8H,9H2,1H3,(H2,18,19,20,21)
InChIKeyROYNYEKKACMJHX-UHFFFAOYSA-N
XLogP2.97
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine 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

N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563676
2-[(2-fluorophenyl)methylamino]-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 4560706
2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
CID 83420113
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563945
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872394
6-[(2-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109369561
6-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563727
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112891171
2-[(2-fluorophenyl)methyl]-6-methoxyimidazo[1,2-a]pyridine
CID 117130419
2-N-[(2-fluorophenyl)methyl]-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112917419

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (CID 82563672) is N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is COc1ccc2c(c1)nc1nc(NCc3ccccc3F)[nH]n12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The InChIKey is ROYNYEKKACMJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-23-11-6-7-14-13(8-11)19-16-20-15(21-22(14)16)18-9-10-4-2-3-5-12(10)17/h2-8H,9H2,1H3,(H2,18,19,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine has a molecular weight of 311.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is sourced from PubChem (CID 82563672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).