N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine

C22H20N6 — CID 15877933

IUPACN,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine
SMILESc1ccc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C22H20N6/c1-2-9-18-17(8-1)24-21(25-18)14-28(13-16-7-5-6-12-23-16)15-22-26-19-10-3-4-11-20(19)27-22/h1-12H,13-15H2,(H,24,25)(H,26,27)
InChIKeyCDUZSGJOWWYCPQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.04
Rot. Bonds6

About N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine

N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine (PubChem CID 15877933) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine
PubChem CID15877933
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC NameN,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine
SMILESc1ccc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C22H20N6/c1-2-9-18-17(8-1)24-21(25-18)14-28(13-16-7-5-6-12-23-16)15-22-26-19-10-3-4-11-20(19)27-22/h1-12H,13-15H2,(H,24,25)(H,26,27)
InChIKeyCDUZSGJOWWYCPQ-UHFFFAOYSA-N
XLogP4.04
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Glu-P 2
CID 49970
Mavorixafor
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2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
2-(2'-Pyridyl)benzimidazole
CID 70821
6-Nitro-2-(2-pyridyl)benzimidazole
CID 100489
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
2,6-Bis(benzimidazol-2-yl)pyridine
CID 738986
Imidazo(4,5-b)pyridine
CID 67504
6-Chloro-2-(2-pyridinyl)-1H-benzimidazole
CID 186763
1H,1'H-2,2'-Bibenzimidazole
CID 249097

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine (CID 15877933) is N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine is c1ccc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)nc1.
What is the InChIKey of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The InChIKey is CDUZSGJOWWYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-2-9-18-17(8-1)24-21(25-18)14-28(13-16-7-5-6-12-23-16)15-22-26-19-10-3-4-11-20(19)27-22/h1-12H,13-15H2,(H,24,25)(H,26,27).
What are the key properties of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine?
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine has a molecular weight of 368.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1H-benzimidazol-2-ylmethyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 15877933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).