1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea

C24H31N5O2 — CID 10025201

IUPAC1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C
InChIInChI=1S/C24H31N5O2/c1-4-14-25-24(30)27-23-21(28(2)3)12-8-13-22(23)31-16-9-15-29-17-20(26-18-29)19-10-6-5-7-11-19/h5-8,10-13,17-18H,4,9,14-16H2,1-3H3,(H2,25,27,30)
InChIKeyVYWKZXUTPFZFLB-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.62
Rot. Bonds10

About 1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea

1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea (PubChem CID 10025201) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea
PubChem CID10025201
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C
InChIInChI=1S/C24H31N5O2/c1-4-14-25-24(30)27-23-21(28(2)3)12-8-13-22(23)31-16-9-15-29-17-20(26-18-29)19-10-6-5-7-11-19/h5-8,10-13,17-18H,4,9,14-16H2,1-3H3,(H2,25,27,30)
InChIKeyVYWKZXUTPFZFLB-UHFFFAOYSA-N
XLogP4.62
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea 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-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea?
The IUPAC name of 1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea (CID 10025201) is 1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea.
What is the SMILES notation for 1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea?
The canonical SMILES for 1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea is CCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea?
The InChIKey is VYWKZXUTPFZFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-14-25-24(30)27-23-21(28(2)3)12-8-13-22(23)31-16-9-15-29-17-20(26-18-29)19-10-6-5-7-11-19/h5-8,10-13,17-18H,4,9,14-16H2,1-3H3,(H2,25,27,30).
What are the key properties of 1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea?
1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea has a molecular weight of 421.55 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-3-propylurea is sourced from PubChem (CID 10025201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).