1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea

C25H31N5O3 — CID 55923362

IUPAC1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCOc1ccc(C(NC(=O)NCc2cccc(CN3CCOCC3)c2)c2nccn2C)cc1
InChIInChI=1S/C25H31N5O3/c1-29-11-10-26-24(29)23(21-6-8-22(32-2)9-7-21)28-25(31)27-17-19-4-3-5-20(16-19)18-30-12-14-33-15-13-30/h3-11,16,23H,12-15,17-18H2,1-2H3,(H2,27,28,31)
InChIKeyMIIBYTJFZKHSKZ-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.85
Rot. Bonds8

About 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 55923362) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID55923362
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCOc1ccc(C(NC(=O)NCc2cccc(CN3CCOCC3)c2)c2nccn2C)cc1
InChIInChI=1S/C25H31N5O3/c1-29-11-10-26-24(29)23(21-6-8-22(32-2)9-7-21)28-25(31)27-17-19-4-3-5-20(16-19)18-30-12-14-33-15-13-30/h3-11,16,23H,12-15,17-18H2,1-2H3,(H2,27,28,31)
InChIKeyMIIBYTJFZKHSKZ-UHFFFAOYSA-N
XLogP2.85
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 35662197
1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60548027
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51729053
1-[(3,5-dimethoxyphenyl)methyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55910496
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60548774
1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026862
1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea
CID 53499198
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 78886445
1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 55597297

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 55923362) is 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea is COc1ccc(C(NC(=O)NCc2cccc(CN3CCOCC3)c2)c2nccn2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is MIIBYTJFZKHSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-29-11-10-26-24(29)23(21-6-8-22(32-2)9-7-21)28-25(31)27-17-19-4-3-5-20(16-19)18-30-12-14-33-15-13-30/h3-11,16,23H,12-15,17-18H2,1-2H3,(H2,27,28,31).
What are the key properties of 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 449.56 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55923362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).