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

C19H20N4O — CID 25339932

IUPAC1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C19H20N4O/c1-14-3-7-17(8-4-14)22-19(24)21-15(2)16-5-9-18(10-6-16)23-12-11-20-13-23/h3-13,15H,1-2H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyRRBQZGOPYXKXID-OAHLLOKOSA-N
MW320.40 g/mol
LogP4.06
Rot. Bonds4

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

1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea (PubChem CID 25339932) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
PubChem CID25339932
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C19H20N4O/c1-14-3-7-17(8-4-14)22-19(24)21-15(2)16-5-9-18(10-6-16)23-12-11-20-13-23/h3-13,15H,1-2H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyRRBQZGOPYXKXID-OAHLLOKOSA-N
XLogP4.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]urea
CID 167917772
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea
CID 33385512
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea (CID 25339932) is 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea?
The InChIKey is RRBQZGOPYXKXID-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-3-7-17(8-4-14)22-19(24)21-15(2)16-5-9-18(10-6-16)23-12-11-20-13-23/h3-13,15H,1-2H3,(H2,21,22,24)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea?
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea has a molecular weight of 320.40 g/mol, XLogP of 4.06, 4 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-methylphenyl)urea is sourced from PubChem (CID 25339932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).