1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea

C21H24N4O3 — CID 55793735

IUPAC1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea
SMILESCCOc1cc(NC(=O)NCc2ccccc2Cn2ccnc2)ccc1OC
InChIInChI=1S/C21H24N4O3/c1-3-28-20-12-18(8-9-19(20)27-2)24-21(26)23-13-16-6-4-5-7-17(16)14-25-11-10-22-15-25/h4-12,15H,3,13-14H2,1-2H3,(H2,23,24,26)
InChIKeyAIHZAKYOQTWLMN-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.66
Rot. Bonds8

About 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea

1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 55793735) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID55793735
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea
SMILESCCOc1cc(NC(=O)NCc2ccccc2Cn2ccnc2)ccc1OC
InChIInChI=1S/C21H24N4O3/c1-3-28-20-12-18(8-9-19(20)27-2)24-21(26)23-13-16-6-4-5-7-17(16)14-25-11-10-22-15-25/h4-12,15H,3,13-14H2,1-2H3,(H2,23,24,26)
InChIKeyAIHZAKYOQTWLMN-UHFFFAOYSA-N
XLogP3.66
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347
1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
CID 34699932
N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 86987887
1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 112835925
1-(6-methoxy-3-pyridinyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51324812
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553525
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 87003086
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 24855667
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]ethanone
CID 43233068

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea (CID 55793735) is 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea is CCOc1cc(NC(=O)NCc2ccccc2Cn2ccnc2)ccc1OC.
What is the InChIKey of 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is AIHZAKYOQTWLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-28-20-12-18(8-9-19(20)27-2)24-21(26)23-13-16-6-4-5-7-17(16)14-25-11-10-22-15-25/h4-12,15H,3,13-14H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea?
1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 380.45 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55793735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).