N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine

C11H13BrFN3 — CID 79630921

IUPACN-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C11H13BrFN3/c1-6(2)14-5-11-15-9-3-7(12)8(13)4-10(9)16-11/h3-4,6,14H,5H2,1-2H3,(H,15,16)
InChIKeyKUQFQPKQEUMJHQ-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.96
Rot. Bonds3

About N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine

N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine (PubChem CID 79630921) has the molecular formula C11H13BrFN3 and a molecular weight of 286.15 g/mol. Its IUPAC name is N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
PubChem CID79630921
Molecular FormulaC11H13BrFN3
Molecular Weight286.15 g/mol
Exact Mass285.03
IUPAC NameN-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C11H13BrFN3/c1-6(2)14-5-11-15-9-3-7(12)8(13)4-10(9)16-11/h3-4,6,14H,5H2,1-2H3,(H,15,16)
InChIKeyKUQFQPKQEUMJHQ-UHFFFAOYSA-N
XLogP2.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
CID 79630736
5-bromo-6-fluoro-2-octyl-1H-benzimidazole
CID 79631418
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole
CID 114458309
2-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 81073477
5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole
CID 79630380
3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872462
5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
CID 79631505
5-bromo-2-[(2,5-dimethylphenyl)methyl]-6-fluoro-1H-benzimidazole
CID 79631232
5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole
CID 79631618

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine (CID 79630921) is N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine is CC(C)NCc1nc2cc(Br)c(F)cc2[nH]1.
What is the InChIKey of N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is KUQFQPKQEUMJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3/c1-6(2)14-5-11-15-9-3-7(12)8(13)4-10(9)16-11/h3-4,6,14H,5H2,1-2H3,(H,15,16).
What are the key properties of N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine?
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 286.15 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 79630921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).