1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

C18H19N5O2 — CID 95782892

IUPAC1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESC[C@H](NC(=O)Nc1cccn(C)c1=O)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H19N5O2/c1-13(14-5-3-6-15(11-14)23-10-8-19-12-23)20-18(25)21-16-7-4-9-22(2)17(16)24/h3-13H,1-2H3,(H2,20,21,25)/t13-/m0/s1
InChIKeyBXBXDYVCNSQWKZ-ZDUSSCGKSA-N
MW337.38 g/mol
LogP2.45
Rot. Bonds4

About 1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 95782892) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID95782892
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESC[C@H](NC(=O)Nc1cccn(C)c1=O)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H19N5O2/c1-13(14-5-3-6-15(11-14)23-10-8-19-12-23)20-18(25)21-16-7-4-9-22(2)17(16)24/h3-13H,1-2H3,(H2,20,21,25)/t13-/m0/s1
InChIKeyBXBXDYVCNSQWKZ-ZDUSSCGKSA-N
XLogP2.45
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97020819
4-[1-(3-imidazol-1-ylphenyl)ethylcarbamoylamino]butanoic acid
CID 122004350
1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea
CID 71990747
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
3-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95969130
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 97317767
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637803
(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide
CID 75407981

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 95782892) is 1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is C[C@H](NC(=O)Nc1cccn(C)c1=O)c1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is BXBXDYVCNSQWKZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13(14-5-3-6-15(11-14)23-10-8-19-12-23)20-18(25)21-16-7-4-9-22(2)17(16)24/h3-13H,1-2H3,(H2,20,21,25)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 337.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 95782892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).