1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea

C22H26N4O2 — CID 55835183

IUPAC1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea
SMILESCc1ccc(NC(=O)NCCCn2ccnc2C)c(OCc2ccccc2)c1
InChIInChI=1S/C22H26N4O2/c1-17-9-10-20(21(15-17)28-16-19-7-4-3-5-8-19)25-22(27)24-11-6-13-26-14-12-23-18(26)2/h3-5,7-10,12,14-15H,6,11,13,16H2,1-2H3,(H2,24,25,27)
InChIKeyTWEDLHTZYNPFHS-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.29
Rot. Bonds8

About 1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea

1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea (PubChem CID 55835183) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea
PubChem CID55835183
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea
SMILESCc1ccc(NC(=O)NCCCn2ccnc2C)c(OCc2ccccc2)c1
InChIInChI=1S/C22H26N4O2/c1-17-9-10-20(21(15-17)28-16-19-7-4-3-5-8-19)25-22(27)24-11-6-13-26-14-12-23-18(26)2/h3-5,7-10,12,14-15H,6,11,13,16H2,1-2H3,(H2,24,25,27)
InChIKeyTWEDLHTZYNPFHS-UHFFFAOYSA-N
XLogP4.29
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.29
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

N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
(2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide
CID 96524441
N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide
CID 55835052
N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide
CID 122150574
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802
1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 56518924
1-[3-(2-methylimidazol-1-yl)propyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 75420265
1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 51085276
4-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122076970
1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111481818
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 60546601
1-[3-(2-methylimidazol-1-yl)propyl]-3-[(1S)-2-methylsulfanyl-1-phenylethyl]urea
CID 97317498

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea?
The IUPAC name of 1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea (CID 55835183) is 1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea is Cc1ccc(NC(=O)NCCCn2ccnc2C)c(OCc2ccccc2)c1.
What is the InChIKey of 1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea?
The InChIKey is TWEDLHTZYNPFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-17-9-10-20(21(15-17)28-16-19-7-4-3-5-8-19)25-22(27)24-11-6-13-26-14-12-23-18(26)2/h3-5,7-10,12,14-15H,6,11,13,16H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea?
1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea has a molecular weight of 378.48 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea is sourced from PubChem (CID 55835183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).