1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

C17H25N5O3 — CID 95045418

IUPAC1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCOCCOc1ccc(NC(=O)NC[C@H](C)Cn2ccnc2C)cn1
InChIInChI=1S/C17H25N5O3/c1-13(12-22-7-6-18-14(22)2)10-20-17(23)21-15-4-5-16(19-11-15)25-9-8-24-3/h4-7,11,13H,8-10,12H2,1-3H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyJMKPZKCRPVAEIK-ZDUSSCGKSA-N
MW347.42 g/mol
LogP2.07
Rot. Bonds9

About 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (PubChem CID 95045418) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
PubChem CID95045418
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCOCCOc1ccc(NC(=O)NC[C@H](C)Cn2ccnc2C)cn1
InChIInChI=1S/C17H25N5O3/c1-13(12-22-7-6-18-14(22)2)10-20-17(23)21-15-4-5-16(19-11-15)25-9-8-24-3/h4-7,11,13H,8-10,12H2,1-3H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyJMKPZKCRPVAEIK-ZDUSSCGKSA-N
XLogP2.07
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (CID 95045418) is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is COCCOc1ccc(NC(=O)NC[C@H](C)Cn2ccnc2C)cn1.
What is the InChIKey of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The InChIKey is JMKPZKCRPVAEIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-13(12-22-7-6-18-14(22)2)10-20-17(23)21-15-4-5-16(19-11-15)25-9-8-24-3/h4-7,11,13H,8-10,12H2,1-3H3,(H2,20,21,23)/t13-/m0/s1.
What are the key properties of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea has a molecular weight of 347.42 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 95045418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).