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

C22H24N4O — CID 90557029

IUPAC1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)Nc1cccc(-c2cnc3n2CCC3)c1
InChIInChI=1S/C22H24N4O/c27-22(23-13-5-9-17-7-2-1-3-8-17)25-19-11-4-10-18(15-19)20-16-24-21-12-6-14-26(20)21/h1-4,7-8,10-11,15-16H,5-6,9,12-14H2,(H2,23,25,27)
InChIKeyMVDUMGYLMVXWTI-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.25
Rot. Bonds6

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

1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea (PubChem CID 90557029) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea
PubChem CID90557029
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)Nc1cccc(-c2cnc3n2CCC3)c1
InChIInChI=1S/C22H24N4O/c27-22(23-13-5-9-17-7-2-1-3-8-17)25-19-11-4-10-18(15-19)20-16-24-21-12-6-14-26(20)21/h1-4,7-8,10-11,15-16H,5-6,9,12-14H2,(H2,23,25,27)
InChIKeyMVDUMGYLMVXWTI-UHFFFAOYSA-N
XLogP4.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 90557012
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea
CID 90557016
1-(4-butoxyphenyl)-3-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557031
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide
CID 71797953
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea
CID 90557320
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-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71797978
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-phenylacetamide
CID 90557225
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-methoxyethyl)urea
CID 90557353
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 71797933

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea (CID 90557029) is 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)Nc1cccc(-c2cnc3n2CCC3)c1.
What is the InChIKey of 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea?
The InChIKey is MVDUMGYLMVXWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(23-13-5-9-17-7-2-1-3-8-17)25-19-11-4-10-18(15-19)20-16-24-21-12-6-14-26(20)21/h1-4,7-8,10-11,15-16H,5-6,9,12-14H2,(H2,23,25,27).
What are the key properties of 1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea?
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea has a molecular weight of 360.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 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-(3-phenylpropyl)urea is sourced from PubChem (CID 90557029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).