1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea

C23H24N4O2 — CID 167837140

IUPAC1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea
SMILESCN(C(=O)Nc1ccc2c(c1)C(=O)CCCC2)C(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C23H24N4O2/c1-27(21(22-24-13-14-25-22)17-8-3-2-4-9-17)23(29)26-18-12-11-16-7-5-6-10-20(28)19(16)15-18/h2-4,8-9,11-15,21H,5-7,10H2,1H3,(H,24,25)(H,26,29)
InChIKeyGEMAIZWFIUFVQG-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.57
Rot. Bonds4

About 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea

1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea (PubChem CID 167837140) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea.

Molecular Properties

Compound Name1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea
PubChem CID167837140
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea
SMILESCN(C(=O)Nc1ccc2c(c1)C(=O)CCCC2)C(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C23H24N4O2/c1-27(21(22-24-13-14-25-22)17-8-3-2-4-9-17)23(29)26-18-12-11-16-7-5-6-10-20(28)19(16)15-18/h2-4,8-9,11-15,21H,5-7,10H2,1H3,(H,24,25)(H,26,29)
InChIKeyGEMAIZWFIUFVQG-UHFFFAOYSA-N
XLogP4.57
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)carbamoyl]amino]propanoic acid
CID 122103283
1-cyclopropyl-1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840828
1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea
CID 154797825
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840820
1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
CID 155964291
2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803
2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid
CID 62638284
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2,2-diphenylacetamide
CID 56764999
1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea
CID 111840807
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932209
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
CID 91649259

Frequently Asked Questions

What is the IUPAC name of 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea?
The IUPAC name of 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea (CID 167837140) is 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea.
What is the SMILES notation for 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea?
The canonical SMILES for 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea is CN(C(=O)Nc1ccc2c(c1)C(=O)CCCC2)C(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea?
The InChIKey is GEMAIZWFIUFVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-27(21(22-24-13-14-25-22)17-8-3-2-4-9-17)23(29)26-18-12-11-16-7-5-6-10-20(28)19(16)15-18/h2-4,8-9,11-15,21H,5-7,10H2,1H3,(H,24,25)(H,26,29).
What are the key properties of 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea?
1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea has a molecular weight of 388.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)urea is sourced from PubChem (CID 167837140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).