N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine

C20H16N6 — CID 102241640

IUPACN-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine
SMILESc1ccc(CN(c2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C20H16N6/c1-2-9-16-15(8-1)22-19(23-16)26(13-14-7-5-6-12-21-14)20-24-17-10-3-4-11-18(17)25-20/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyBFJZSWZEWVLFJA-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.17
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine

N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine (PubChem CID 102241640) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine
PubChem CID102241640
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC NameN-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine
SMILESc1ccc(CN(c2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C20H16N6/c1-2-9-16-15(8-1)22-19(23-16)26(13-14-7-5-6-12-21-14)20-24-17-10-3-4-11-18(17)25-20/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyBFJZSWZEWVLFJA-UHFFFAOYSA-N
XLogP4.17
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-yl)-2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenol
CID 136866247
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide
CID 3087601
N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 141149663
3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86841638
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
CID 88902013
CID 88902013
N-methyl-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 115143872
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine (CID 102241640) is N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine is c1ccc(CN(c2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is BFJZSWZEWVLFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c1-2-9-16-15(8-1)22-19(23-16)26(13-14-7-5-6-12-21-14)20-24-17-10-3-4-11-18(17)25-20/h1-12H,13H2,(H,22,23)(H,24,25).
What are the key properties of N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine?
N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 340.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 102241640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).