1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine

C19H16N4O — CID 59373052

IUPAC1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine
SMILESCOc1ccccc1-n1cnc2cc(Nc3ccccn3)ccc21
InChIInChI=1S/C19H16N4O/c1-24-18-7-3-2-6-17(18)23-13-21-15-12-14(9-10-16(15)23)22-19-8-4-5-11-20-19/h2-13H,1H3,(H,20,22)
InChIKeyALAMHTVVUKTJTC-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.17
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine

1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine (PubChem CID 59373052) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine
PubChem CID59373052
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine
SMILESCOc1ccccc1-n1cnc2cc(Nc3ccccn3)ccc21
InChIInChI=1S/C19H16N4O/c1-24-18-7-3-2-6-17(18)23-13-21-15-12-14(9-10-16(15)23)22-19-8-4-5-11-20-19/h2-13H,1H3,(H,20,22)
InChIKeyALAMHTVVUKTJTC-UHFFFAOYSA-N
XLogP4.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine (CID 59373052) is 1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine is COc1ccccc1-n1cnc2cc(Nc3ccccn3)ccc21.
What is the InChIKey of 1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine?
The InChIKey is ALAMHTVVUKTJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-18-7-3-2-6-17(18)23-13-21-15-12-14(9-10-16(15)23)22-19-8-4-5-11-20-19/h2-13H,1H3,(H,20,22).
What are the key properties of 1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine?
1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine has a molecular weight of 316.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 59373052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).