1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea

C22H31N5O3 — CID 56553698

IUPAC1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H31N5O3/c1-17-15-23-21(29)27(17)19-8-4-3-7-18(19)25-20(28)24-16-22(9-5-2-6-10-22)26-11-13-30-14-12-26/h3-4,7-8,15H,2,5-6,9-14,16H2,1H3,(H,23,29)(H2,24,25,28)
InChIKeyWDCWWQAWXYKCRV-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.63
Rot. Bonds5

About 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea

1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea (PubChem CID 56553698) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
PubChem CID56553698
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H31N5O3/c1-17-15-23-21(29)27(17)19-8-4-3-7-18(19)25-20(28)24-16-22(9-5-2-6-10-22)26-11-13-30-14-12-26/h3-4,7-8,15H,2,5-6,9-14,16H2,1H3,(H,23,29)(H2,24,25,28)
InChIKeyWDCWWQAWXYKCRV-UHFFFAOYSA-N
XLogP2.63
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea with MolForge

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Related Compounds

1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553421
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55409899
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553525
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8683516
N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 31328196
4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 56554813
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
1-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 136530337
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
The IUPAC name of 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea (CID 56553698) is 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
The canonical SMILES for 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea is Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
The InChIKey is WDCWWQAWXYKCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-17-15-23-21(29)27(17)19-8-4-3-7-18(19)25-20(28)24-16-22(9-5-2-6-10-22)26-11-13-30-14-12-26/h3-4,7-8,15H,2,5-6,9-14,16H2,1H3,(H,23,29)(H2,24,25,28).
What are the key properties of 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea has a molecular weight of 413.52 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea is sourced from PubChem (CID 56553698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).