N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine

C19H16N4O — CID 59327050

IUPACN-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine
SMILESCc1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H16N4O/c1-13-5-4-12-20-18(13)24-15-10-8-14(9-11-15)21-19-22-16-6-2-3-7-17(16)23-19/h2-12H,1H3,(H2,21,22,23)
InChIKeyREQWTXZSVFHLKQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.80
Rot. Bonds4

About N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine

N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine (PubChem CID 59327050) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine
PubChem CID59327050
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine
SMILESCc1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H16N4O/c1-13-5-4-12-20-18(13)24-15-10-8-14(9-11-15)21-19-22-16-6-2-3-7-17(16)23-19/h2-12H,1H3,(H2,21,22,23)
InChIKeyREQWTXZSVFHLKQ-UHFFFAOYSA-N
XLogP4.80
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine (CID 59327050) is N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine is Cc1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine?
The InChIKey is REQWTXZSVFHLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-5-4-12-20-18(13)24-15-10-8-14(9-11-15)21-19-22-16-6-2-3-7-17(16)23-19/h2-12H,1H3,(H2,21,22,23).
What are the key properties of N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine?
N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine has a molecular weight of 316.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 59327050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).