ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate

C16H19N3O2 — CID 44605359

IUPACethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)nc1N1CCCC1
InChIInChI=1S/C16H19N3O2/c1-2-21-16(20)13-15(19-10-6-7-11-19)18-14(17-13)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,17,18)
InChIKeyLOHUNFLYUOUDJL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.85
Rot. Bonds4

About ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate

ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate (PubChem CID 44605359) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate
PubChem CID44605359
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)nc1N1CCCC1
InChIInChI=1S/C16H19N3O2/c1-2-21-16(20)13-15(19-10-6-7-11-19)18-14(17-13)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,17,18)
InChIKeyLOHUNFLYUOUDJL-UHFFFAOYSA-N
XLogP2.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate
CID 625236
methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate
CID 628810
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605551
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 3-phenyl-1H-pyrrole-2-carboxylate
CID 11790592
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
ethyl 2-phenyl-4-pyrrolidin-1-ylcyclohexa-1,3-diene-1-carboxylate
CID 139893203
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate (CID 44605359) is ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(-c2ccccc2)nc1N1CCCC1.
What is the InChIKey of ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate?
The InChIKey is LOHUNFLYUOUDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-21-16(20)13-15(19-10-6-7-11-19)18-14(17-13)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,17,18).
What are the key properties of ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate?
ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 44605359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).