1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea

C23H24N6O — CID 174999274

IUPAC1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NC(C)c1ccc(-n2ccnc2)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H24N6O/c1-17(19-3-7-21(8-4-19)28-13-11-24-15-28)26-23(30)27-18(2)20-5-9-22(10-6-20)29-14-12-25-16-29/h3-18H,1-2H3,(H2,26,27,30)
InChIKeyRCOBFQRVQNGGKZ-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.18
Rot. Bonds6

About 1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea

1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea (PubChem CID 174999274) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
PubChem CID174999274
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
SMILESCC(NC(=O)NC(C)c1ccc(-n2ccnc2)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H24N6O/c1-17(19-3-7-21(8-4-19)28-13-11-24-15-28)26-23(30)27-18(2)20-5-9-22(10-6-20)29-14-12-25-16-29/h3-18H,1-2H3,(H2,26,27,30)
InChIKeyRCOBFQRVQNGGKZ-UHFFFAOYSA-N
XLogP4.18
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea
CID 33385512
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 111503946
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
CID 35061240

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea (CID 174999274) is 1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea is CC(NC(=O)NC(C)c1ccc(-n2ccnc2)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea?
The InChIKey is RCOBFQRVQNGGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-17(19-3-7-21(8-4-19)28-13-11-24-15-28)26-23(30)27-18(2)20-5-9-22(10-6-20)29-14-12-25-16-29/h3-18H,1-2H3,(H2,26,27,30).
What are the key properties of 1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea?
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea has a molecular weight of 400.49 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 174999274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).