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

C17H22N4O3 — CID 138010389

IUPAC1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)NC2CCn3ccnc32)c(OC)c1
InChIInChI=1S/C17H22N4O3/c1-11(13-5-4-12(23-2)10-15(13)24-3)19-17(22)20-14-6-8-21-9-7-18-16(14)21/h4-5,7,9-11,14H,6,8H2,1-3H3,(H2,19,20,22)/t11-,14?/m1/s1
InChIKeyQELWFHQWORYCCD-YNODCEANSA-N
MW330.39 g/mol
LogP2.41
Rot. Bonds5

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

1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea (PubChem CID 138010389) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea
PubChem CID138010389
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)NC2CCn3ccnc32)c(OC)c1
InChIInChI=1S/C17H22N4O3/c1-11(13-5-4-12(23-2)10-15(13)24-3)19-17(22)20-14-6-8-21-9-7-18-16(14)21/h4-5,7,9-11,14H,6,8H2,1-3H3,(H2,19,20,22)/t11-,14?/m1/s1
InChIKeyQELWFHQWORYCCD-YNODCEANSA-N
XLogP2.41
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029275
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
CID 87004692
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 47048402
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]urea
CID 98953347
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 55695740
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 51083709
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide
CID 55799582
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea (CID 138010389) is 1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea is COc1ccc([C@@H](C)NC(=O)NC2CCn3ccnc32)c(OC)c1.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is QELWFHQWORYCCD-YNODCEANSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(13-5-4-12(23-2)10-15(13)24-3)19-17(22)20-14-6-8-21-9-7-18-16(14)21/h4-5,7,9-11,14H,6,8H2,1-3H3,(H2,19,20,22)/t11-,14?/m1/s1.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea?
1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 330.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 138010389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).