N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine

C11H13BrFN3 — CID 103295600

IUPACN-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
SMILESCC(Br)CN(C)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C11H13BrFN3/c1-7(12)6-16(2)11-14-9-4-3-8(13)5-10(9)15-11/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyNSDLWCSQRPSFMK-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.92
Rot. Bonds3

About N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine

N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine (PubChem CID 103295600) has the molecular formula C11H13BrFN3 and a molecular weight of 286.15 g/mol. Its IUPAC name is N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
PubChem CID103295600
Molecular FormulaC11H13BrFN3
Molecular Weight286.15 g/mol
Exact Mass285.03
IUPAC NameN-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
SMILESCC(Br)CN(C)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C11H13BrFN3/c1-7(12)6-16(2)11-14-9-4-3-8(13)5-10(9)15-11/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyNSDLWCSQRPSFMK-UHFFFAOYSA-N
XLogP2.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine (CID 103295600) is N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine is CC(Br)CN(C)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is NSDLWCSQRPSFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3/c1-7(12)6-16(2)11-14-9-4-3-8(13)5-10(9)15-11/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine?
N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 286.15 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).