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

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Related Compounds

2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240092
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide
CID 82359124
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
CID 66078295
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63597555
methyl 2-[2-(2-chloroethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]acetate
CID 63597727
5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 63825511
5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine
CID 106406137
ethyl 2-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]acetate
CID 63599125
2-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-tert-butylacetamide
CID 115357105
5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406219
5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine
CID 63599810

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).