1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea

C21H22N4O2 — CID 90557016

IUPAC1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cccc(-c2cnc3n2CCC3)c1
InChIInChI=1S/C21H22N4O2/c1-2-27-19-10-4-3-9-17(19)24-21(26)23-16-8-5-7-15(13-16)18-14-22-20-11-6-12-25(18)20/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H2,23,24,26)
InChIKeyFPJRSLRYQVUGPE-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.54
Rot. Bonds5

About 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea

1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea (PubChem CID 90557016) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea
PubChem CID90557016
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cccc(-c2cnc3n2CCC3)c1
InChIInChI=1S/C21H22N4O2/c1-2-27-19-10-4-3-9-17(19)24-21(26)23-16-8-5-7-15(13-16)18-14-22-20-11-6-12-25(18)20/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H2,23,24,26)
InChIKeyFPJRSLRYQVUGPE-UHFFFAOYSA-N
XLogP4.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea
CID 90557029
2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide
CID 90556927
3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide
CID 90556846
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 90556928
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557325
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide
CID 71797953
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 71797933
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-methoxyethyl)urea
CID 90557353
N'-(2-ethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679480
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide
CID 90557131

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea (CID 90557016) is 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)Nc1cccc(-c2cnc3n2CCC3)c1.
What is the InChIKey of 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is FPJRSLRYQVUGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-27-19-10-4-3-9-17(19)24-21(26)23-16-8-5-7-15(13-16)18-14-22-20-11-6-12-25(18)20/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H2,23,24,26).
What are the key properties of 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea?
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 362.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 90557016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).