5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine

C18H21FN6O — CID 170642290

IUPAC5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOC1=NC(N)Nn2ccc(-c3cc(F)c4nc(C)n(C(C)C)c4c3)c21
InChIInChI=1S/C18H21FN6O/c1-9(2)25-10(3)21-15-13(19)7-11(8-14(15)25)12-5-6-24-16(12)17(26-4)22-18(20)23-24/h5-9,18,23H,20H2,1-4H3
InChIKeyXDNRTFJMQXUCCV-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.73
Rot. Bonds2

About 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine

5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170642290) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170642290
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC Name5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOC1=NC(N)Nn2ccc(-c3cc(F)c4nc(C)n(C(C)C)c4c3)c21
InChIInChI=1S/C18H21FN6O/c1-9(2)25-10(3)21-15-13(19)7-11(8-14(15)25)12-5-6-24-16(12)17(26-4)22-18(20)23-24/h5-9,18,23H,20H2,1-4H3
InChIKeyXDNRTFJMQXUCCV-UHFFFAOYSA-N
XLogP2.73
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-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

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170642290) is 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine is COC1=NC(N)Nn2ccc(-c3cc(F)c4nc(C)n(C(C)C)c4c3)c21.
What is the InChIKey of 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is XDNRTFJMQXUCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-9(2)25-10(3)21-15-13(19)7-11(8-14(15)25)12-5-6-24-16(12)17(26-4)22-18(20)23-24/h5-9,18,23H,20H2,1-4H3.
What are the key properties of 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine?
5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 356.41 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170642290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).