1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine

C9H10BrN3 — CID 83898803

IUPAC1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine
SMILESCNCc1cc(Br)c2nc[nH]c2c1
InChIInChI=1S/C9H10BrN3/c1-11-4-6-2-7(10)9-8(3-6)12-5-13-9/h2-3,5,11H,4H2,1H3,(H,12,13)
InChIKeyPZAJHQIPGIWWHU-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.04
Rot. Bonds2

About 1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine

1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine (PubChem CID 83898803) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine
PubChem CID83898803
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine
SMILESCNCc1cc(Br)c2nc[nH]c2c1
InChIInChI=1S/C9H10BrN3/c1-11-4-6-2-7(10)9-8(3-6)12-5-13-9/h2-3,5,11H,4H2,1H3,(H,12,13)
InChIKeyPZAJHQIPGIWWHU-UHFFFAOYSA-N
XLogP2.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine (CID 83898803) is 1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine is CNCc1cc(Br)c2nc[nH]c2c1.
What is the InChIKey of 1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine?
The InChIKey is PZAJHQIPGIWWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-11-4-6-2-7(10)9-8(3-6)12-5-13-9/h2-3,5,11H,4H2,1H3,(H,12,13).
What are the key properties of 1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine?
1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine has a molecular weight of 240.10 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 83898803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).