5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine

C22H21N3O — CID 68585768

IUPAC5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine
SMILESC1=CN(CC2Cc3cc(Cc4ccccc4)ccc3O2)Cc2[nH]cnc21
InChIInChI=1S/C22H21N3O/c1-2-4-16(5-3-1)10-17-6-7-22-18(11-17)12-19(26-22)13-25-9-8-20-21(14-25)24-15-23-20/h1-9,11,15,19H,10,12-14H2,(H,23,24)
InChIKeyWSLIVTDKJYLMSI-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.79
Rot. Bonds4

About 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine

5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine (PubChem CID 68585768) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine
PubChem CID68585768
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine
SMILESC1=CN(CC2Cc3cc(Cc4ccccc4)ccc3O2)Cc2[nH]cnc21
InChIInChI=1S/C22H21N3O/c1-2-4-16(5-3-1)10-17-6-7-22-18(11-17)12-19(26-22)13-25-9-8-20-21(14-25)24-15-23-20/h1-9,11,15,19H,10,12-14H2,(H,23,24)
InChIKeyWSLIVTDKJYLMSI-UHFFFAOYSA-N
XLogP3.79
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-Fluoro-phenyl)-ethyl]-(1H-imidazol-4-ylmethyl)-(4-phenoxy-benzyl)-amine
CID 44390086
1-(4-(2-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)ethoxy)benzyl)piperidine
CID 44408030
N-[2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]ethyl]hexan-1-amine
CID 44531591
N-[2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]ethyl]butan-1-amine
CID 44532029
5-[(1-Methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 91800594
5-[2-(2-phenylethoxy)phenyl]-1H-imidazole
CID 44467660
[7-fluoro-5-(2-methyl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56711516
4-[2-(benzyloxy)phenyl]-1H-imidazole
CID 44467799
5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole
CID 58294086
5-(6,8-dimethyl-2H-chromen-4-yl)-1H-imidazole
CID 169087982
5-(6-methyl-2H-chromen-4-yl)-1H-imidazole
CID 169088004
2-(4-ethoxyphenyl)-5-phenyl-1H-imidazole
CID 76322540

Frequently Asked Questions

What is the IUPAC name of 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine (CID 68585768) is 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine is C1=CN(CC2Cc3cc(Cc4ccccc4)ccc3O2)Cc2[nH]cnc21.
What is the InChIKey of 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine?
The InChIKey is WSLIVTDKJYLMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-4-16(5-3-1)10-17-6-7-22-18(11-17)12-19(26-22)13-25-9-8-20-21(14-25)24-15-23-20/h1-9,11,15,19H,10,12-14H2,(H,23,24).
What are the key properties of 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine?
5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine has a molecular weight of 343.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 68585768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).