[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate

C22H25N3O3 — CID 146087234

IUPAC[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate
SMILESCc1cccc(-c2nc(C(=O)OCC3CCCN3Cc3ccco3)c(C)[nH]2)c1
InChIInChI=1S/C22H25N3O3/c1-15-6-3-7-17(12-15)21-23-16(2)20(24-21)22(26)28-14-18-8-4-10-25(18)13-19-9-5-11-27-19/h3,5-7,9,11-12,18H,4,8,10,13-14H2,1-2H3,(H,23,24)
InChIKeyGFLACSYKUDSTRJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.11
Rot. Bonds6

About [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate

[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate (PubChem CID 146087234) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate
PubChem CID146087234
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate
SMILESCc1cccc(-c2nc(C(=O)OCC3CCCN3Cc3ccco3)c(C)[nH]2)c1
InChIInChI=1S/C22H25N3O3/c1-15-6-3-7-17(12-15)21-23-16(2)20(24-21)22(26)28-14-18-8-4-10-25(18)13-19-9-5-11-27-19/h3,5-7,9,11-12,18H,4,8,10,13-14H2,1-2H3,(H,23,24)
InChIKeyGFLACSYKUDSTRJ-UHFFFAOYSA-N
XLogP4.11
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 71907517
[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanamine
CID 94011431
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
CID 166192657
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
(2R)-1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42362496
ethyl 1-[2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate
CID 25467274
[1-[[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]pyrrolidin-2-yl]methanamine;2,2,2-trifluoroacetic acid
CID 44525026
1-benzyl-2-(furan-2-ylmethyl)pyrrolidine
CID 44596412
(1-benzylpyrrolidin-2-yl)methyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 45109367
(2R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119913908
3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 71905690

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate?
The IUPAC name of [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate (CID 146087234) is [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate.
What is the SMILES notation for [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate?
The canonical SMILES for [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate is Cc1cccc(-c2nc(C(=O)OCC3CCCN3Cc3ccco3)c(C)[nH]2)c1.
What is the InChIKey of [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate?
The InChIKey is GFLACSYKUDSTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-6-3-7-17(12-15)21-23-16(2)20(24-21)22(26)28-14-18-8-4-10-25(18)13-19-9-5-11-27-19/h3,5-7,9,11-12,18H,4,8,10,13-14H2,1-2H3,(H,23,24).
What are the key properties of [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate?
[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate is sourced from PubChem (CID 146087234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).