2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine

C23H31N3O3 — CID 69146590

IUPAC2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine
SMILESCCOCC(COCC)Oc1ccc(Cc2ccc(C3=NCCN3N)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-3-27-16-22(17-28-4-2)29-21-11-7-19(8-12-21)15-18-5-9-20(10-6-18)23-25-13-14-26(23)24/h5-12,22H,3-4,13-17,24H2,1-2H3
InChIKeyQKRWWYXZUXIMNY-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.03
Rot. Bonds11

About 2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine

2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine (PubChem CID 69146590) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound Name2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine
PubChem CID69146590
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine
SMILESCCOCC(COCC)Oc1ccc(Cc2ccc(C3=NCCN3N)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-3-27-16-22(17-28-4-2)29-21-11-7-19(8-12-21)15-18-5-9-20(10-6-18)23-25-13-14-26(23)24/h5-12,22H,3-4,13-17,24H2,1-2H3
InChIKeyQKRWWYXZUXIMNY-UHFFFAOYSA-N
XLogP3.03
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine?
The IUPAC name of 2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine (CID 69146590) is 2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for 2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine?
The canonical SMILES for 2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine is CCOCC(COCC)Oc1ccc(Cc2ccc(C3=NCCN3N)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine?
The InChIKey is QKRWWYXZUXIMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-27-16-22(17-28-4-2)29-21-11-7-19(8-12-21)15-18-5-9-20(10-6-18)23-25-13-14-26(23)24/h5-12,22H,3-4,13-17,24H2,1-2H3.
What are the key properties of 2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine?
2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine has a molecular weight of 397.52 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1,3-diethoxypropan-2-yloxy)phenyl]methyl]phenyl]-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 69146590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).