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

C20H29N5O2 — CID 126452651

IUPAC1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea
SMILESCc1nccn1-c1ccccc1CNC(=O)N(C)C[C@H](C)N1CCOCC1
InChIInChI=1S/C20H29N5O2/c1-16(24-10-12-27-13-11-24)15-23(3)20(26)22-14-18-6-4-5-7-19(18)25-9-8-21-17(25)2/h4-9,16H,10-15H2,1-3H3,(H,22,26)/t16-/m0/s1
InChIKeySTGFNYSDQIJYTN-INIZCTEOSA-N
MW371.49 g/mol
LogP2.04
Rot. Bonds6

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

1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea (PubChem CID 126452651) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea.

Molecular Properties

Compound Name1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea
PubChem CID126452651
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea
SMILESCc1nccn1-c1ccccc1CNC(=O)N(C)C[C@H](C)N1CCOCC1
InChIInChI=1S/C20H29N5O2/c1-16(24-10-12-27-13-11-24)15-23(3)20(26)22-14-18-6-4-5-7-19(18)25-9-8-21-17(25)2/h4-9,16H,10-15H2,1-3H3,(H,22,26)/t16-/m0/s1
InChIKeySTGFNYSDQIJYTN-INIZCTEOSA-N
XLogP2.04
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea with MolForge

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Related Compounds

2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 43910024
(3R)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30379318
(2S)-2-benzylsulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92678022
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 92675979
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide
CID 95551014
1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 97212409
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 94015798
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 50959250
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 95717335

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea?
The IUPAC name of 1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea (CID 126452651) is 1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea.
What is the SMILES notation for 1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea?
The canonical SMILES for 1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea is Cc1nccn1-c1ccccc1CNC(=O)N(C)C[C@H](C)N1CCOCC1.
What is the InChIKey of 1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea?
The InChIKey is STGFNYSDQIJYTN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-16(24-10-12-27-13-11-24)15-23(3)20(26)22-14-18-6-4-5-7-19(18)25-9-8-21-17(25)2/h4-9,16H,10-15H2,1-3H3,(H,22,26)/t16-/m0/s1.
What are the key properties of 1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea?
1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea has a molecular weight of 371.49 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea is sourced from PubChem (CID 126452651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).