ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

C19H23N3O3S — CID 11014195

IUPACethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
SMILESCCCSc1nc2[nH]c(C(=O)OCC)cc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C19H23N3O3S/c1-4-10-26-19-21-17-16(11-15(20-17)18(23)25-5-2)22(19)12-13-6-8-14(24-3)9-7-13/h6-9,11,20H,4-5,10,12H2,1-3H3
InChIKeyOKCBMLYAALCLCR-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.10
Rot. Bonds8

About ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate (PubChem CID 11014195) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
PubChem CID11014195
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Nameethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
SMILESCCCSc1nc2[nH]c(C(=O)OCC)cc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C19H23N3O3S/c1-4-10-26-19-21-17-16(11-15(20-17)18(23)25-5-2)22(19)12-13-6-8-14(24-3)9-7-13/h6-9,11,20H,4-5,10,12H2,1-3H3
InChIKeyOKCBMLYAALCLCR-UHFFFAOYSA-N
XLogP4.10
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-ethyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazole-5-carboxylate
CID 7845699
ethyl 2-[(4-chlorophenyl)methylsulfanyl]-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate
CID 46101587
ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
CID 10589188
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
N-[(4-benzyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CID 7095937
ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
CID 143011204
2-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81337196
ethyl 1-benzyl-2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]benzimidazole-5-carboxylate
CID 46101480
ethyl 4-[(3-methoxy-3-oxopropanoyl)amino]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazole-5-carboxylate
CID 140830760
ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 1206883
ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 170928576
ethyl 2-[(2-methoxy-4-methoxycarbonylphenyl)methylsulfanyl]-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate
CID 46101684

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate (CID 11014195) is ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate is CCCSc1nc2[nH]c(C(=O)OCC)cc2n1Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The InChIKey is OKCBMLYAALCLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-10-26-19-21-17-16(11-15(20-17)18(23)25-5-2)22(19)12-13-6-8-14(24-3)9-7-13/h6-9,11,20H,4-5,10,12H2,1-3H3.
What are the key properties of ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate is sourced from PubChem (CID 11014195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).