1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine

C12H13BrFN3 — CID 112735044

IUPAC1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine
SMILESNC(CC1CC1)c1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C12H13BrFN3/c13-7-4-10-11(5-8(7)14)17-12(16-10)9(15)3-6-1-2-6/h4-6,9H,1-3,15H2,(H,16,17)
InChIKeyVDDXDCYNEFQHFB-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.26
Rot. Bonds3

About 1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine

1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine (PubChem CID 112735044) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine
PubChem CID112735044
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine
SMILESNC(CC1CC1)c1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C12H13BrFN3/c13-7-4-10-11(5-8(7)14)17-12(16-10)9(15)3-6-1-2-6/h4-6,9H,1-3,15H2,(H,16,17)
InChIKeyVDDXDCYNEFQHFB-UHFFFAOYSA-N
XLogP3.26
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine
CID 112735043
5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole
CID 114458309
5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole
CID 79630380
cis-(1S,3R)-3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 106322566
5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole
CID 114040709
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603
2-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 81073477
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
CID 103394387
5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 79631784
5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole
CID 79630755
3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872462

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine?
The IUPAC name of 1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine (CID 112735044) is 1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine.
What is the SMILES notation for 1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine?
The canonical SMILES for 1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine is NC(CC1CC1)c1nc2cc(Br)c(F)cc2[nH]1.
What is the InChIKey of 1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine?
The InChIKey is VDDXDCYNEFQHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c13-7-4-10-11(5-8(7)14)17-12(16-10)9(15)3-6-1-2-6/h4-6,9H,1-3,15H2,(H,16,17).
What are the key properties of 1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine?
1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine has a molecular weight of 298.16 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine is sourced from PubChem (CID 112735044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).