1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea

C18H19N3O — CID 18575230

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea
SMILESCc1cccc(NC(=O)N(C2=NCCC2)c2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-14-7-5-8-15(13-14)20-18(22)21(17-11-6-12-19-17)16-9-3-2-4-10-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,22)
InChIKeyJLBMXWAQUBRXMK-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.23
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea

1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea (PubChem CID 18575230) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea
PubChem CID18575230
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea
SMILESCc1cccc(NC(=O)N(C2=NCCC2)c2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-14-7-5-8-15(13-14)20-18(22)21(17-11-6-12-19-17)16-9-3-2-4-10-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,22)
InChIKeyJLBMXWAQUBRXMK-UHFFFAOYSA-N
XLogP4.23
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-1-phenyl-1-sulfanylurea
CID 57164193
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(3-methylphenyl)-3-phenylurea
CID 6923880
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100104
1-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)-1-phenylurea
CID 69206748
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
N-(3-methylphenyl)acetamide
CID 10843
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 18951141
1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-(3-methylphenyl)-1-phenylurea
CID 69209910
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334971
1-(cyclopentylidenemethyl)-3-(3-methylphenyl)urea
CID 108913541

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea (CID 18575230) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea is Cc1cccc(NC(=O)N(C2=NCCC2)c2ccccc2)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea?
The InChIKey is JLBMXWAQUBRXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-7-5-8-15(13-14)20-18(22)21(17-11-6-12-19-17)16-9-3-2-4-10-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,22).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea?
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea has a molecular weight of 293.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea is sourced from PubChem (CID 18575230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).