2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide

C14H19FN4O2 — CID 115356971

IUPAC2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide
SMILESCOc1cc2c(cc1F)nc(N)n2CC(=O)NC(C)(C)C
InChIInChI=1S/C14H19FN4O2/c1-14(2,3)18-12(20)7-19-10-6-11(21-4)8(15)5-9(10)17-13(19)16/h5-6H,7H2,1-4H3,(H2,16,17)(H,18,20)
InChIKeyJZUFKVUCMDYGKF-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.68
Rot. Bonds3

About 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide

2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide (PubChem CID 115356971) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide
PubChem CID115356971
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide
SMILESCOc1cc2c(cc1F)nc(N)n2CC(=O)NC(C)(C)C
InChIInChI=1S/C14H19FN4O2/c1-14(2,3)18-12(20)7-19-10-6-11(21-4)8(15)5-9(10)17-13(19)16/h5-6H,7H2,1-4H3,(H2,16,17)(H,18,20)
InChIKeyJZUFKVUCMDYGKF-UHFFFAOYSA-N
XLogP1.68
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide 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 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide (CID 115356971) is 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide is COc1cc2c(cc1F)nc(N)n2CC(=O)NC(C)(C)C.
What is the InChIKey of 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide?
The InChIKey is JZUFKVUCMDYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-14(2,3)18-12(20)7-19-10-6-11(21-4)8(15)5-9(10)17-13(19)16/h5-6H,7H2,1-4H3,(H2,16,17)(H,18,20).
What are the key properties of 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide?
2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide has a molecular weight of 294.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide is sourced from PubChem (CID 115356971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).