1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole

C17H21N3O — CID 91661955

IUPAC1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
SMILESc1cn(CC2CCCN2Cc2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C17H21N3O/c1-2-16(12-19-8-6-18-13-19)20(7-1)11-14-3-4-17-15(10-14)5-9-21-17/h3-4,6,8,10,13,16H,1-2,5,7,9,11-12H2
InChIKeyUCSJELSWDBTVMO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.48
Rot. Bonds4

About 1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole

1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole (PubChem CID 91661955) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
PubChem CID91661955
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
SMILESc1cn(CC2CCCN2Cc2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C17H21N3O/c1-2-16(12-19-8-6-18-13-19)20(7-1)11-14-3-4-17-15(10-14)5-9-21-17/h3-4,6,8,10,13,16H,1-2,5,7,9,11-12H2
InChIKeyUCSJELSWDBTVMO-UHFFFAOYSA-N
XLogP2.48
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
CID 65446900
1-[[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]methyl]pyrazole
CID 95308122
N-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65446001
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924917
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane
CID 138988946
1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
CID 99825714
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 65444676
2-[[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924882
N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240821
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanamine
CID 63596533
(2S)-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124568548

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole?
The IUPAC name of 1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole (CID 91661955) is 1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole is c1cn(CC2CCCN2Cc2ccc3c(c2)CCO3)cn1.
What is the InChIKey of 1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole?
The InChIKey is UCSJELSWDBTVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-16(12-19-8-6-18-13-19)20(7-1)11-14-3-4-17-15(10-14)5-9-21-17/h3-4,6,8,10,13,16H,1-2,5,7,9,11-12H2.
What are the key properties of 1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole?
1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole has a molecular weight of 283.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole is sourced from PubChem (CID 91661955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).