1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea

C22H33N5O3 — CID 42819953

IUPAC1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
SMILESCOc1cccc(Cn2ccnc2CN(CCN2CCOCC2)C(=O)NC(C)C)c1
InChIInChI=1S/C22H33N5O3/c1-18(2)24-22(28)27(10-9-25-11-13-30-14-12-25)17-21-23-7-8-26(21)16-19-5-4-6-20(15-19)29-3/h4-8,15,18H,9-14,16-17H2,1-3H3,(H,24,28)
InChIKeyNPMUEHBJMUGFRO-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.19
Rot. Bonds9

About 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea

1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea (PubChem CID 42819953) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
PubChem CID42819953
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
SMILESCOc1cccc(Cn2ccnc2CN(CCN2CCOCC2)C(=O)NC(C)C)c1
InChIInChI=1S/C22H33N5O3/c1-18(2)24-22(28)27(10-9-25-11-13-30-14-12-25)17-21-23-7-8-26(21)16-19-5-4-6-20(15-19)29-3/h4-8,15,18H,9-14,16-17H2,1-3H3,(H,24,28)
InChIKeyNPMUEHBJMUGFRO-UHFFFAOYSA-N
XLogP2.19
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea 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

3-methoxy-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819998
1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 42819707
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 42819476
3-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]butanamide
CID 83280017
2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
CID 42819529
3-cyclohexyl-1-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3572608
N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 42819993
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42819288
1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
CID 42819641
4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819996
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819882
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42819335

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea?
The IUPAC name of 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea (CID 42819953) is 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea is COc1cccc(Cn2ccnc2CN(CCN2CCOCC2)C(=O)NC(C)C)c1.
What is the InChIKey of 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea?
The InChIKey is NPMUEHBJMUGFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-18(2)24-22(28)27(10-9-25-11-13-30-14-12-25)17-21-23-7-8-26(21)16-19-5-4-6-20(15-19)29-3/h4-8,15,18H,9-14,16-17H2,1-3H3,(H,24,28).
What are the key properties of 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea?
1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea has a molecular weight of 415.54 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea is sourced from PubChem (CID 42819953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).