ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate

C16H18N2O2 — CID 175214507

IUPACethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)cn1Cc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-20-16(19)15-17-14(13-8-9-13)11-18(15)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3
InChIKeyJHRXPWLAZXUBOB-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.99
Rot. Bonds5

About ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate

ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate (PubChem CID 175214507) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate
PubChem CID175214507
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)cn1Cc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-20-16(19)15-17-14(13-8-9-13)11-18(15)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3
InChIKeyJHRXPWLAZXUBOB-UHFFFAOYSA-N
XLogP2.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 166121923
ethyl 4-benzyl-1,2,4-triazole-3-carboxylate
CID 172839532
methyl 1-benzyl-4-methylimidazole-2-carboxylate
CID 11470254
ethyl 5-cyclopropyl-1-(2-phenylethyl)triazole-4-carboxylate
CID 103106922
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
ethyl 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxylate
CID 155678798
ethyl 1-benzyl-5-chloro-1,2,4-triazole-3-carboxylate
CID 155357284
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
ethyl 1-benzyl-3,4-diphenylpyrrole-2-carboxylate
CID 10915918
ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
CID 22267745
ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 164567258

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate?
The IUPAC name of ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate (CID 175214507) is ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate?
The canonical SMILES for ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate is CCOC(=O)c1nc(C2CC2)cn1Cc1ccccc1.
What is the InChIKey of ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate?
The InChIKey is JHRXPWLAZXUBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-16(19)15-17-14(13-8-9-13)11-18(15)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3.
What are the key properties of ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate?
ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate is sourced from PubChem (CID 175214507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).