3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine

C11H13F2N3O — CID 103153947

IUPAC3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C11H13F2N3O/c1-17-6(5-14)2-11-15-9-3-7(12)8(13)4-10(9)16-11/h3-4,6H,2,5,14H2,1H3,(H,15,16)
InChIKeyJOBGARWBZZHQQQ-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.36
Rot. Bonds4

About 3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine

3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine (PubChem CID 103153947) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
PubChem CID103153947
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C11H13F2N3O/c1-17-6(5-14)2-11-15-9-3-7(12)8(13)4-10(9)16-11/h3-4,6H,2,5,14H2,1H3,(H,15,16)
InChIKeyJOBGARWBZZHQQQ-UHFFFAOYSA-N
XLogP1.36
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153939
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153941
3-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methoxypropan-1-amine
CID 103153991
2-methoxy-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine
CID 103154004
2-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 81073477
2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile
CID 64724109
4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol
CID 79200737
5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073665
3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine
CID 80539436
5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60979569
5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
The IUPAC name of 3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine (CID 103153947) is 3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine.
What is the SMILES notation for 3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
The canonical SMILES for 3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine is COC(CN)Cc1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
The InChIKey is JOBGARWBZZHQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-17-6(5-14)2-11-15-9-3-7(12)8(13)4-10(9)16-11/h3-4,6H,2,5,14H2,1H3,(H,15,16).
What are the key properties of 3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine?
3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine has a molecular weight of 241.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine is sourced from PubChem (CID 103153947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).