N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine

C16H17BrN4 — CID 86816683

IUPACN-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H17BrN4/c1-21(9-6-12-4-7-18-8-5-12)11-16-19-14-3-2-13(17)10-15(14)20-16/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,20)
InChIKeyIYBMQVDNNYDJEG-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.39
Rot. Bonds5

About N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine

N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 86816683) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine
PubChem CID86816683
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC NameN-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H17BrN4/c1-21(9-6-12-4-7-18-8-5-12)11-16-19-14-3-2-13(17)10-15(14)20-16/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,20)
InChIKeyIYBMQVDNNYDJEG-UHFFFAOYSA-N
XLogP3.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine (CID 86816683) is N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine is CN(CCc1ccncc1)Cc1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is IYBMQVDNNYDJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-21(9-6-12-4-7-18-8-5-12)11-16-19-14-3-2-13(17)10-15(14)20-16/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,20).
What are the key properties of N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 345.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-1H-benzimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 86816683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).