1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea

C20H29N5O2 — CID 55597297

IUPAC1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCn1ccnc1C(NC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H29N5O2/c1-20(2,25-11-13-27-14-12-25)15-22-19(26)23-17(16-7-5-4-6-8-16)18-21-9-10-24(18)3/h4-10,17H,11-15H2,1-3H3,(H2,22,23,26)
InChIKeyNXXOBAJICPDENG-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.92
Rot. Bonds6

About 1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea

1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea (PubChem CID 55597297) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
PubChem CID55597297
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCn1ccnc1C(NC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H29N5O2/c1-20(2,25-11-13-27-14-12-25)15-22-19(26)23-17(16-7-5-4-6-8-16)18-21-9-10-24(18)3/h4-10,17H,11-15H2,1-3H3,(H2,22,23,26)
InChIKeyNXXOBAJICPDENG-UHFFFAOYSA-N
XLogP1.92
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51729053
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 115426635
1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 38202343
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 96516387
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
1-[2-(4-bromophenyl)sulfanylethyl]-3-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 25356312
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 27898430

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea (CID 55597297) is 1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea is Cn1ccnc1C(NC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The InChIKey is NXXOBAJICPDENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-20(2,25-11-13-27-14-12-25)15-22-19(26)23-17(16-7-5-4-6-8-16)18-21-9-10-24(18)3/h4-10,17H,11-15H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea has a molecular weight of 371.49 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 55597297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).