1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea

C18H26N4O — CID 33385512

IUPAC1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea
SMILESCC(C)CCCNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H26N4O/c1-14(2)5-4-10-20-18(23)21-15(3)16-6-8-17(9-7-16)22-12-11-19-13-22/h6-9,11-15H,4-5,10H2,1-3H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyPSBWLVUEXZSJAU-OAHLLOKOSA-N
MW314.43 g/mol
LogP3.67
Rot. Bonds7

About 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea

1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea (PubChem CID 33385512) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea
PubChem CID33385512
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea
SMILESCC(C)CCCNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H26N4O/c1-14(2)5-4-10-20-18(23)21-15(3)16-6-8-17(9-7-16)22-12-11-19-13-22/h6-9,11-15H,4-5,10H2,1-3H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyPSBWLVUEXZSJAU-OAHLLOKOSA-N
XLogP3.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 111503946
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
4-[1-(3-imidazol-1-ylphenyl)ethylcarbamoylamino]butanoic acid
CID 122004350
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
N-[4-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 42917645
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea
CID 167917772
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
CID 35061240
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841
5-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 40713324

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea?
The IUPAC name of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea (CID 33385512) is 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea.
What is the SMILES notation for 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea?
The canonical SMILES for 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea is CC(C)CCCNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea?
The InChIKey is PSBWLVUEXZSJAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)5-4-10-20-18(23)21-15(3)16-6-8-17(9-7-16)22-12-11-19-13-22/h6-9,11-15H,4-5,10H2,1-3H3,(H2,20,21,23)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea?
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea has a molecular weight of 314.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea is sourced from PubChem (CID 33385512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).