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

C11H14BrN3 — CID 60837050

IUPACN-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C11H14BrN3/c1-7(2)13-6-11-14-9-4-3-8(12)5-10(9)15-11/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyXRMACCUWDOLXIX-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.82
Rot. Bonds3

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

N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine (PubChem CID 60837050) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
PubChem CID60837050
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC NameN-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C11H14BrN3/c1-7(2)13-6-11-14-9-4-3-8(12)5-10(9)15-11/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyXRMACCUWDOLXIX-UHFFFAOYSA-N
XLogP2.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole
CID 112603042
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride
CID 154729465
3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
CID 4162826
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
CID 64723934
6-bromo-2-(1-chloroethyl)-1H-benzimidazole
CID 47003349
6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 64723336
6-bromo-2-(1-chloroethyl)-1H-benzimidazole;hydrochloride
CID 47003348
6-bromo-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 50754096
6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole
CID 64723733

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine (CID 60837050) is N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine is CC(C)NCc1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is XRMACCUWDOLXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-7(2)13-6-11-14-9-4-3-8(12)5-10(9)15-11/h3-5,7,13H,6H2,1-2H3,(H,14,15).
What are the key properties of N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine?
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 268.16 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 60837050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).