1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea

C18H24N4O2 — CID 71992418

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C18H24N4O2/c1-13(2)12-22-8-7-19-17(22)11-20-18(23)21-15-5-6-16-14(10-15)4-3-9-24-16/h5-8,10,13H,3-4,9,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyUFWVHUROYGGQJM-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.19
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea

1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea (PubChem CID 71992418) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
PubChem CID71992418
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C18H24N4O2/c1-13(2)12-22-8-7-19-17(22)11-20-18(23)21-15-5-6-16-14(10-15)4-3-9-24-16/h5-8,10,13H,3-4,9,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyUFWVHUROYGGQJM-UHFFFAOYSA-N
XLogP3.19
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea with MolForge

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Related Compounds

N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide
CID 71984767
1-(2-tert-butylpyrimidin-5-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71926143
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
CID 110748414
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea
CID 75423072
1-(3,4-dihydro-2H-chromen-6-yl)-3-(oxan-3-ylmethyl)urea
CID 126769025
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
1-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892622
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea (CID 71992418) is 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea is CC(C)Cn1ccnc1CNC(=O)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The InChIKey is UFWVHUROYGGQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)12-22-8-7-19-17(22)11-20-18(23)21-15-5-6-16-14(10-15)4-3-9-24-16/h5-8,10,13H,3-4,9,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 71992418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).