1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea

C24H26N4O3 — CID 78893656

IUPAC1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
SMILESCCc1oc2ccccc2c1CN(C)C(=O)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C24H26N4O3/c1-3-22-21(20-10-4-5-11-23(20)31-22)17-27(2)24(29)26-18-8-6-9-19(16-18)30-15-14-28-13-7-12-25-28/h4-13,16H,3,14-15,17H2,1-2H3,(H,26,29)
InChIKeyJOHIHTGWUWLDOD-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.93
Rot. Bonds8

About 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea

1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea (PubChem CID 78893656) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
PubChem CID78893656
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
SMILESCCc1oc2ccccc2c1CN(C)C(=O)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C24H26N4O3/c1-3-22-21(20-10-4-5-11-23(20)31-22)17-27(2)24(29)26-18-8-6-9-19(16-18)30-15-14-28-13-7-12-25-28/h4-13,16H,3,14-15,17H2,1-2H3,(H,26,29)
InChIKeyJOHIHTGWUWLDOD-UHFFFAOYSA-N
XLogP4.93
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 112825840
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 95157995
3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide
CID 55854489
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460
3-(5-phenylfuran-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55767669
3-(3-bromophenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylthiourea
CID 9241500
1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892865
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87010136
3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 78874801

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
The IUPAC name of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea (CID 78893656) is 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
The canonical SMILES for 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea is CCc1oc2ccccc2c1CN(C)C(=O)Nc1cccc(OCCn2cccn2)c1.
What is the InChIKey of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
The InChIKey is JOHIHTGWUWLDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-22-21(20-10-4-5-11-23(20)31-22)17-27(2)24(29)26-18-8-6-9-19(16-18)30-15-14-28-13-7-12-25-28/h4-13,16H,3,14-15,17H2,1-2H3,(H,26,29).
What are the key properties of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea has a molecular weight of 418.50 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea is sourced from PubChem (CID 78893656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).