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

C17H19N5O3 — CID 111479380

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESCC(O)(CNC(=O)NCc1ccc(-n2ccnc2)nc1)c1ccco1
InChIInChI=1S/C17H19N5O3/c1-17(24,14-3-2-8-25-14)11-21-16(23)20-10-13-4-5-15(19-9-13)22-7-6-18-12-22/h2-9,12,24H,10-11H2,1H3,(H2,20,21,23)
InChIKeyRGVJHLLZJRQYJQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.57
Rot. Bonds6

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

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea (PubChem CID 111479380) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
PubChem CID111479380
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESCC(O)(CNC(=O)NCc1ccc(-n2ccnc2)nc1)c1ccco1
InChIInChI=1S/C17H19N5O3/c1-17(24,14-3-2-8-25-14)11-21-16(23)20-10-13-4-5-15(19-9-13)22-7-6-18-12-22/h2-9,12,24H,10-11H2,1H3,(H2,20,21,23)
InChIKeyRGVJHLLZJRQYJQ-UHFFFAOYSA-N
XLogP1.57
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
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-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111482745
1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 110894423
1-(1-adamantylmethyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 36968166
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 71990409

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea (CID 111479380) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea is CC(O)(CNC(=O)NCc1ccc(-n2ccnc2)nc1)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is RGVJHLLZJRQYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-17(24,14-3-2-8-25-14)11-21-16(23)20-10-13-4-5-15(19-9-13)22-7-6-18-12-22/h2-9,12,24H,10-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 341.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 111479380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).