1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea

C18H19N5O — CID 36507075

IUPAC1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H19N5O/c24-18(20-9-8-15-4-2-1-3-5-15)22-13-16-6-7-17(21-12-16)23-11-10-19-14-23/h1-7,10-12,14H,8-9,13H2,(H2,20,22,24)
InChIKeyFGFPKTKPIBEFFZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.31
Rot. Bonds6

About 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea

1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea (PubChem CID 36507075) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
PubChem CID36507075
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H19N5O/c24-18(20-9-8-15-4-2-1-3-5-15)22-13-16-6-7-17(21-12-16)23-11-10-19-14-23/h1-7,10-12,14H,8-9,13H2,(H2,20,22,24)
InChIKeyFGFPKTKPIBEFFZ-UHFFFAOYSA-N
XLogP2.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
1-(5-hydroxy-4,4-dimethylpentyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 111504347
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylbutan-2-yl)urea
CID 56783628
1-(1-adamantylmethyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 36968166
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide
CID 95278008
1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 110894423
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 38772539
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 111479380

Frequently Asked Questions

What is the IUPAC name of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea (CID 36507075) is 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea?
The InChIKey is FGFPKTKPIBEFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(20-9-8-15-4-2-1-3-5-15)22-13-16-6-7-17(21-12-16)23-11-10-19-14-23/h1-7,10-12,14H,8-9,13H2,(H2,20,22,24).
What are the key properties of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea?
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea has a molecular weight of 321.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 36507075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).