1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea

C18H21N3O — CID 29900

IUPAC1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea
SMILESCN1CCC(N(C(=O)Nc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H21N3O/c1-20-13-12-17(14-20)21(16-10-6-3-7-11-16)18(22)19-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,19,22)
InChIKeyBAZXEKWTWJMZMP-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.43
Rot. Bonds3

About 1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea

1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea (PubChem CID 29900) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea
PubChem CID29900
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea
SMILESCN1CCC(N(C(=O)Nc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H21N3O/c1-20-13-12-17(14-20)21(16-10-6-3-7-11-16)18(22)19-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,19,22)
InChIKeyBAZXEKWTWJMZMP-UHFFFAOYSA-N
XLogP3.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fenuron
CID 7560
1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
N-Methyl-N',N'-diphenylurea
CID 25711
Centralite
CID 6828
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
1-Ebio
CID 82320
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
1,3-Dimethyl-1,3-diphenylurea
CID 11917
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
N-Cyclopentyl-N'-phenylurea
CID 25740
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
N-phenylpyrrolidine-1-carboxamide
CID 791811

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea (CID 29900) is 1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea is CN1CCC(N(C(=O)Nc2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea?
The InChIKey is BAZXEKWTWJMZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20-13-12-17(14-20)21(16-10-6-3-7-11-16)18(22)19-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,19,22).
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea?
1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea has a molecular weight of 295.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea is sourced from PubChem (CID 29900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).