1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea

C19H18N4O3 — CID 71040220

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc3c(c2)CCO3)ccc1-n1ccnc1
InChIInChI=1S/C19H18N4O3/c1-25-18-11-15(2-4-16(18)23-8-7-20-12-23)22-19(24)21-14-3-5-17-13(10-14)6-9-26-17/h2-5,7-8,10-12H,6,9H2,1H3,(H2,21,22,24)
InChIKeyKBMIVTGHRVPAGG-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.46
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea

1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea (PubChem CID 71040220) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
PubChem CID71040220
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc3c(c2)CCO3)ccc1-n1ccnc1
InChIInChI=1S/C19H18N4O3/c1-25-18-11-15(2-4-16(18)23-8-7-20-12-23)22-19(24)21-14-3-5-17-13(10-14)6-9-26-17/h2-5,7-8,10-12H,6,9H2,1H3,(H2,21,22,24)
InChIKeyKBMIVTGHRVPAGG-UHFFFAOYSA-N
XLogP3.46
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)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-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 24855667
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
1-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-imidazol-1-ylphenyl)urea;molecular hydrogen
CID 143582920
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 122131901
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]acetamide
CID 47073790
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
CID 70694605
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-fluorophenyl)urea
CID 110866388
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
CID 70940292
(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 30839842

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea (CID 71040220) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc3c(c2)CCO3)ccc1-n1ccnc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea?
The InChIKey is KBMIVTGHRVPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-18-11-15(2-4-16(18)23-8-7-20-12-23)22-19(24)21-14-3-5-17-13(10-14)6-9-26-17/h2-5,7-8,10-12H,6,9H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea has a molecular weight of 350.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea is sourced from PubChem (CID 71040220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).