3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide

C13H18N4O2 — CID 106278480

IUPAC3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide
SMILESCOc1ccc2nc(N)n(CC(C)(C)C(N)=O)c2c1
InChIInChI=1S/C13H18N4O2/c1-13(2,11(14)18)7-17-10-6-8(19-3)4-5-9(10)16-12(17)15/h4-6H,7H2,1-3H3,(H2,14,18)(H2,15,16)
InChIKeyWBOAVNBDQSIVBN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.14
Rot. Bonds4

About 3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide

3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide (PubChem CID 106278480) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide
PubChem CID106278480
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide
SMILESCOc1ccc2nc(N)n(CC(C)(C)C(N)=O)c2c1
InChIInChI=1S/C13H18N4O2/c1-13(2,11(14)18)7-17-10-6-8(19-3)4-5-9(10)16-12(17)15/h4-6H,7H2,1-3H3,(H2,14,18)(H2,15,16)
InChIKeyWBOAVNBDQSIVBN-UHFFFAOYSA-N
XLogP1.14
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
CID 80522196
3-(2-amino-6,7-difluorobenzimidazol-1-yl)-2,2-dimethylpropanamide
CID 106278489
6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763122
2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 84810462
1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine
CID 106008013
2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea
CID 83114952
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide
CID 155682956
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine
CID 106035989
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654
2-amino-3-(2-hydroxy-2-methylpropyl)benzimidazole-5-carbaldehyde
CID 139447620

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide (CID 106278480) is 3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide is COc1ccc2nc(N)n(CC(C)(C)C(N)=O)c2c1.
What is the InChIKey of 3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide?
The InChIKey is WBOAVNBDQSIVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2,11(14)18)7-17-10-6-8(19-3)4-5-9(10)16-12(17)15/h4-6H,7H2,1-3H3,(H2,14,18)(H2,15,16).
What are the key properties of 3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide?
3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide has a molecular weight of 262.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 106278480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).