N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine

C20H16N6O — CID 90645024

IUPACN-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine
SMILESCOc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H16N6O/c1-27-20-25-17-7-4-12-21-18(17)26(20)14-10-8-13(9-11-14)22-19-23-15-5-2-3-6-16(15)24-19/h2-12H,1H3,(H2,22,23,24)
InChIKeyJDHJPXLXVWEFKE-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.05
Rot. Bonds4

About N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine

N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine (PubChem CID 90645024) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine
PubChem CID90645024
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC NameN-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine
SMILESCOc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H16N6O/c1-27-20-25-17-7-4-12-21-18(17)26(20)14-10-8-13(9-11-14)22-19-23-15-5-2-3-6-16(15)24-19/h2-12H,1H3,(H2,22,23,24)
InChIKeyJDHJPXLXVWEFKE-UHFFFAOYSA-N
XLogP4.05
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine (CID 90645024) is N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine is COc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine?
The InChIKey is JDHJPXLXVWEFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-27-20-25-17-7-4-12-21-18(17)26(20)14-10-8-13(9-11-14)22-19-23-15-5-2-3-6-16(15)24-19/h2-12H,1H3,(H2,22,23,24).
What are the key properties of N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine?
N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine has a molecular weight of 356.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 90645024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).