1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine

C22H22N4O3 — CID 177372639

IUPAC1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4ccccc43)cc2OC)nc1
InChIInChI=1S/C22H22N4O3/c1-27-17-9-8-16(24-12-17)14-29-20-10-7-15(11-21(20)28-2)13-26-19-6-4-3-5-18(19)25-22(26)23/h3-12H,13-14H2,1-2H3,(H2,23,25)
InChIKeyUEHBLANLOPQEMH-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.66
Rot. Bonds7

About 1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine

1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine (PubChem CID 177372639) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine
PubChem CID177372639
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4ccccc43)cc2OC)nc1
InChIInChI=1S/C22H22N4O3/c1-27-17-9-8-16(24-12-17)14-29-20-10-7-15(11-21(20)28-2)13-26-19-6-4-3-5-18(19)25-22(26)23/h3-12H,13-14H2,1-2H3,(H2,23,25)
InChIKeyUEHBLANLOPQEMH-UHFFFAOYSA-N
XLogP3.66
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine?
The IUPAC name of 1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine (CID 177372639) is 1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine is COc1ccc(COc2ccc(Cn3c(N)nc4ccccc43)cc2OC)nc1.
What is the InChIKey of 1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine?
The InChIKey is UEHBLANLOPQEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-27-17-9-8-16(24-12-17)14-29-20-10-7-15(11-21(20)28-2)13-26-19-6-4-3-5-18(19)25-22(26)23/h3-12H,13-14H2,1-2H3,(H2,23,25).
What are the key properties of 1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine?
1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine has a molecular weight of 390.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]methyl]benzimidazol-2-amine is sourced from PubChem (CID 177372639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).