1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea

C19H18N4O — CID 90557320

IUPAC1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2cnc3n2CCC3)cc1
InChIInChI=1S/C19H18N4O/c24-19(21-15-5-2-1-3-6-15)22-16-10-8-14(9-11-16)17-13-20-18-7-4-12-23(17)18/h1-3,5-6,8-11,13H,4,7,12H2,(H2,21,22,24)
InChIKeyAJXHGTCEWWNMTQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.14
Rot. Bonds3

About 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea

1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea (PubChem CID 90557320) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea
PubChem CID90557320
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2cnc3n2CCC3)cc1
InChIInChI=1S/C19H18N4O/c24-19(21-15-5-2-1-3-6-15)22-16-10-8-14(9-11-16)17-13-20-18-7-4-12-23(17)18/h1-3,5-6,8-11,13H,4,7,12H2,(H2,21,22,24)
InChIKeyAJXHGTCEWWNMTQ-UHFFFAOYSA-N
XLogP4.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557325
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-phenylacetamide
CID 90557225
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 90557096
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,6-difluorobenzamide
CID 90557184
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 90557012
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-methoxyethyl)urea
CID 90557353
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide
CID 90557131
4-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557180
1-(4-butoxyphenyl)-3-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557031
3-(4-phenylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine chloride
CID 21178987
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 90557220
2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557186

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea (CID 90557320) is 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(-c2cnc3n2CCC3)cc1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea?
The InChIKey is AJXHGTCEWWNMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(21-15-5-2-1-3-6-15)22-16-10-8-14(9-11-16)17-13-20-18-7-4-12-23(17)18/h1-3,5-6,8-11,13H,4,7,12H2,(H2,21,22,24).
What are the key properties of 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea?
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea has a molecular weight of 318.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 90557320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).