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

C22H24N4O2 — CID 71797978

IUPAC1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(-c3cnc4n3CCC4)cc2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-10-4-16(5-11-19)12-13-23-22(27)25-18-8-6-17(7-9-18)20-15-24-21-3-2-14-26(20)21/h4-11,15H,2-3,12-14H2,1H3,(H2,23,25,27)
InChIKeyCLOJFXWSUIYXEF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.87
Rot. Bonds6

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

1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 71797978) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID71797978
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(-c3cnc4n3CCC4)cc2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-10-4-16(5-11-19)12-13-23-22(27)25-18-8-6-17(7-9-18)20-15-24-21-3-2-14-26(20)21/h4-11,15H,2-3,12-14H2,1H3,(H2,23,25,27)
InChIKeyCLOJFXWSUIYXEF-UHFFFAOYSA-N
XLogP3.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-methoxyethyl)urea
CID 90557353
1-(4-methoxyphenyl)-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]urea
CID 51326159
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea
CID 90557320
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 90557220
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide
CID 90557364
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide
CID 90557131
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea
CID 90557029
1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557325
4-[2-(4-methoxyphenyl)ethylcarbamoylamino]benzenesulfonic acid
CID 108901850
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 71797978) is 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2ccc(-c3cnc4n3CCC4)cc2)cc1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is CLOJFXWSUIYXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-19-10-4-16(5-11-19)12-13-23-22(27)25-18-8-6-17(7-9-18)20-15-24-21-3-2-14-26(20)21/h4-11,15H,2-3,12-14H2,1H3,(H2,23,25,27).
What are the key properties of 1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 376.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 71797978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).