1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H21N3O — CID 64858927

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(n1C1COc3ccccc31)CCNC2
InChIInChI=1S/C17H21N3O/c1-11(2)17-19-13-9-18-8-7-14(13)20(17)15-10-21-16-6-4-3-5-12(15)16/h3-6,11,15,18H,7-10H2,1-2H3
InChIKeyRKFGZVPCBZDLFN-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.63
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858927) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858927
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(n1C1COc3ccccc31)CCNC2
InChIInChI=1S/C17H21N3O/c1-11(2)17-19-13-9-18-8-7-14(13)20(17)15-10-21-16-6-4-3-5-12(15)16/h3-6,11,15,18H,7-10H2,1-2H3
InChIKeyRKFGZVPCBZDLFN-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857739
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941592
2-propan-2-yl-1-(4-propylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856551
1-(2,5-difluoro-4-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 103587615
1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
CID 125478085
1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857342
1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115948392
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857793
2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile
CID 104719006
N,N-dimethyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-amine
CID 83025118

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858927) is 1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)c1nc2c(n1C1COc3ccccc31)CCNC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is RKFGZVPCBZDLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(2)17-19-13-9-18-8-7-14(13)20(17)15-10-21-16-6-4-3-5-12(15)16/h3-6,11,15,18H,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 283.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).