1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea

C17H24N4O2 — CID 60546601

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
SMILESCOc1ccc(CCNC(=O)NCCCn2ccnc2C)cc1
InChIInChI=1S/C17H24N4O2/c1-14-18-11-13-21(14)12-3-9-19-17(22)20-10-8-15-4-6-16(23-2)7-5-15/h4-7,11,13H,3,8-10,12H2,1-2H3,(H2,19,20,22)
InChIKeyNENZGNKZGGDZTI-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.13
Rot. Bonds8

About 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea

1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea (PubChem CID 60546601) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
PubChem CID60546601
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
SMILESCOc1ccc(CCNC(=O)NCCCn2ccnc2C)cc1
InChIInChI=1S/C17H24N4O2/c1-14-18-11-13-21(14)12-3-9-19-17(22)20-10-8-15-4-6-16(23-2)7-5-15/h4-7,11,13H,3,8-10,12H2,1-2H3,(H2,19,20,22)
InChIKeyNENZGNKZGGDZTI-UHFFFAOYSA-N
XLogP2.13
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 51085276
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
CID 60547411
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901941
5-methoxy-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]-1H-indole-3-carboxamide
CID 71845389
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
4-(4-tert-butylphenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]butanamide
CID 55957830
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 95930538
3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide
CID 90556350
1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
CID 110307723

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea (CID 60546601) is 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea is COc1ccc(CCNC(=O)NCCCn2ccnc2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea?
The InChIKey is NENZGNKZGGDZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-14-18-11-13-21(14)12-3-9-19-17(22)20-10-8-15-4-6-16(23-2)7-5-15/h4-7,11,13H,3,8-10,12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea?
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea has a molecular weight of 316.41 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 60546601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).