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

C22H20ClN3O — CID 159991627

IUPAC3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride
SMILESCl.c1ccc(Cc2ccc3c(c2)CC(Cn2cnc4ccncc42)O3)cc1
InChIInChI=1S/C22H19N3O.ClH/c1-2-4-16(5-3-1)10-17-6-7-22-18(11-17)12-19(26-22)14-25-15-24-20-8-9-23-13-21(20)25;/h1-9,11,13,15,19H,10,12,14H2;1H
InChIKeyLENMQKOOBLZLRJ-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.45
Rot. Bonds4

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

3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride (PubChem CID 159991627) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is 3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride
PubChem CID159991627
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride
SMILESCl.c1ccc(Cc2ccc3c(c2)CC(Cn2cnc4ccncc42)O3)cc1
InChIInChI=1S/C22H19N3O.ClH/c1-2-4-16(5-3-1)10-17-6-7-22-18(11-17)12-19(26-22)14-25-15-24-20-8-9-23-13-21(20)25;/h1-9,11,13,15,19H,10,12,14H2;1H
InChIKeyLENMQKOOBLZLRJ-UHFFFAOYSA-N
XLogP4.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dihydroimidazo[4,5-c]pyridine
CID 68585768
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine
CID 23553213
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
CID 99610232
3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine
CID 18678213
2-(chloromethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-c]pyridine
CID 79274455
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
CID 106569539
2-[(4-benzyltriazol-1-yl)methyl]-2,3-dihydro-1-benzofuran-5-carbonitrile
CID 44818953
2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708234
5,6-dichloro-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidin-4-one
CID 114582943
(1S,9S,17S)-4,12,20-tribenzyl-8,16,24-trioxa-25-azahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,10(15),11,13,18(23),19,21-nonaene
CID 100897530
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
CID 66360136

Frequently Asked Questions

What is the IUPAC name of 3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride?
The IUPAC name of 3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride (CID 159991627) is 3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride.
What is the SMILES notation for 3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride?
The canonical SMILES for 3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride is Cl.c1ccc(Cc2ccc3c(c2)CC(Cn2cnc4ccncc42)O3)cc1.
What is the InChIKey of 3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride?
The InChIKey is LENMQKOOBLZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O.ClH/c1-2-4-16(5-3-1)10-17-6-7-22-18(11-17)12-19(26-22)14-25-15-24-20-8-9-23-13-21(20)25;/h1-9,11,13,15,19H,10,12,14H2;1H.
What are the key properties of 3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride?
3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride has a molecular weight of 377.88 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 159991627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).