2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine

C27H27N7 — CID 102048444

IUPAC2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine
SMILESCN(C)c1ccc2nc(-c3cccc(CN(Cc4ccccn4)Cc4ccccn4)n3)[nH]c2c1
InChIInChI=1S/C27H27N7/c1-33(2)23-12-13-24-26(16-23)32-27(31-24)25-11-7-10-22(30-25)19-34(17-20-8-3-5-14-28-20)18-21-9-4-6-15-29-21/h3-16H,17-19H2,1-2H3,(H,31,32)
InChIKeyJSIATNAQHZQUPJ-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.68
Rot. Bonds8

About 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine

2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine (PubChem CID 102048444) has the molecular formula C27H27N7 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine
PubChem CID102048444
Molecular FormulaC27H27N7
Molecular Weight449.56 g/mol
Exact Mass449.23
IUPAC Name2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine
SMILESCN(C)c1ccc2nc(-c3cccc(CN(Cc4ccccn4)Cc4ccccn4)n3)[nH]c2c1
InChIInChI=1S/C27H27N7/c1-33(2)23-12-13-24-26(16-23)32-27(31-24)25-11-7-10-22(30-25)19-34(17-20-8-3-5-14-28-20)18-21-9-4-6-15-29-21/h3-16H,17-19H2,1-2H3,(H,31,32)
InChIKeyJSIATNAQHZQUPJ-UHFFFAOYSA-N
XLogP4.68
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine with MolForge

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Related Compounds

1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol
CID 136866247
3-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenol
CID 132520123
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
CID 118989540
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
2-pyridin-2-yl-3H-benzimidazole-5-carbaldehyde
CID 84756492
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine?
The IUPAC name of 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine (CID 102048444) is 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine is CN(C)c1ccc2nc(-c3cccc(CN(Cc4ccccn4)Cc4ccccn4)n3)[nH]c2c1.
What is the InChIKey of 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine?
The InChIKey is JSIATNAQHZQUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7/c1-33(2)23-12-13-24-26(16-23)32-27(31-24)25-11-7-10-22(30-25)19-34(17-20-8-3-5-14-28-20)18-21-9-4-6-15-29-21/h3-16H,17-19H2,1-2H3,(H,31,32).
What are the key properties of 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine?
2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine has a molecular weight of 449.56 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 102048444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).