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

C18H19N3O — CID 18575271

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea
SMILESCc1ccccc1NC(=O)N(C1=NCCC1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-14-8-5-6-11-16(14)20-18(22)21(17-12-7-13-19-17)15-9-3-2-4-10-15/h2-6,8-11H,7,12-13H2,1H3,(H,20,22)
InChIKeyZVWOGKDMLCPHCK-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.23
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea (PubChem CID 18575271) 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-(2-methylphenyl)-1-phenylurea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea
PubChem CID18575271
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea
SMILESCc1ccccc1NC(=O)N(C1=NCCC1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-14-8-5-6-11-16(14)20-18(22)21(17-12-7-13-19-17)15-9-3-2-4-10-15/h2-6,8-11H,7,12-13H2,1H3,(H,20,22)
InChIKeyZVWOGKDMLCPHCK-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

1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea
CID 18575230
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea
CID 18575211
1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea
CID 682079
1-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-3-(2-methylphenyl)-1-phenylurea
CID 11560490
2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
6-N-methyl-2-N-(2-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100039
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
N-(2-methylphenyl)-N-[(2-methylphenyl)carbamoyl]acetamide
CID 4278277
1-cyano-1-methyl-3-(2-methylphenyl)urea
CID 14143275
N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide
CID 12951899
1-(cyclohexylidenemethyl)-3-(2-methylphenyl)urea
CID 108912377

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea (CID 18575271) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea is Cc1ccccc1NC(=O)N(C1=NCCC1)c1ccccc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea?
The InChIKey is ZVWOGKDMLCPHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-8-5-6-11-16(14)20-18(22)21(17-12-7-13-19-17)15-9-3-2-4-10-15/h2-6,8-11H,7,12-13H2,1H3,(H,20,22).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea?
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-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-(2-methylphenyl)-1-phenylurea is sourced from PubChem (CID 18575271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).