3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine

C20H20N6 — CID 90682918

IUPAC3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine
SMILESCN(C)c1cccc(-n2c(N)nc3ccc(Nc4cccnc4)cc32)c1
InChIInChI=1S/C20H20N6/c1-25(2)16-6-3-7-17(12-16)26-19-11-14(8-9-18(19)24-20(26)21)23-15-5-4-10-22-13-15/h3-13,23H,1-2H3,(H2,21,24)
InChIKeyAPEVZQNTFNGOLM-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.81
Rot. Bonds4

About 3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine

3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine (PubChem CID 90682918) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine
PubChem CID90682918
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine
SMILESCN(C)c1cccc(-n2c(N)nc3ccc(Nc4cccnc4)cc32)c1
InChIInChI=1S/C20H20N6/c1-25(2)16-6-3-7-17(12-16)26-19-11-14(8-9-18(19)24-20(26)21)23-15-5-4-10-22-13-15/h3-13,23H,1-2H3,(H2,21,24)
InChIKeyAPEVZQNTFNGOLM-UHFFFAOYSA-N
XLogP3.81
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine (CID 90682918) is 3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine is CN(C)c1cccc(-n2c(N)nc3ccc(Nc4cccnc4)cc32)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine?
The InChIKey is APEVZQNTFNGOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-25(2)16-6-3-7-17(12-16)26-19-11-14(8-9-18(19)24-20(26)21)23-15-5-4-10-22-13-15/h3-13,23H,1-2H3,(H2,21,24).
What are the key properties of 3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine?
3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine has a molecular weight of 344.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine is sourced from PubChem (CID 90682918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).