1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea

C19H25N3O2 — CID 71865742

IUPAC1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea
SMILESCN(Cc1cc2ccccc2o1)C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C19H25N3O2/c1-21(13-17-10-15-4-2-3-5-18(15)24-17)19(23)20-11-14-8-9-22(12-14)16-6-7-16/h2-5,10,14,16H,6-9,11-13H2,1H3,(H,20,23)
InChIKeyJUOGCPHYCCPCQE-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.06
Rot. Bonds5

About 1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea

1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea (PubChem CID 71865742) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea
PubChem CID71865742
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea
SMILESCN(Cc1cc2ccccc2o1)C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C19H25N3O2/c1-21(13-17-10-15-4-2-3-5-18(15)24-17)19(23)20-11-14-8-9-22(12-14)16-6-7-16/h2-5,10,14,16H,6-9,11-13H2,1H3,(H,20,23)
InChIKeyJUOGCPHYCCPCQE-UHFFFAOYSA-N
XLogP3.06
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea (CID 71865742) is 1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea is CN(Cc1cc2ccccc2o1)C(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea?
The InChIKey is JUOGCPHYCCPCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(13-17-10-15-4-2-3-5-18(15)24-17)19(23)20-11-14-8-9-22(12-14)16-6-7-16/h2-5,10,14,16H,6-9,11-13H2,1H3,(H,20,23).
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea?
1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea has a molecular weight of 327.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea is sourced from PubChem (CID 71865742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).