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

C14H19N5O2 — CID 110894423

IUPAC1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESCCC(CO)NC(=O)NCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H19N5O2/c1-2-12(9-20)18-14(21)17-8-11-3-4-13(16-7-11)19-6-5-15-10-19/h3-7,10,12,20H,2,8-9H2,1H3,(H2,17,18,21)
InChIKeyJMKAXGCALGETHJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.84
Rot. Bonds6

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

1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea (PubChem CID 110894423) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
PubChem CID110894423
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESCCC(CO)NC(=O)NCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H19N5O2/c1-2-12(9-20)18-14(21)17-8-11-3-4-13(16-7-11)19-6-5-15-10-19/h3-7,10,12,20H,2,8-9H2,1H3,(H2,17,18,21)
InChIKeyJMKAXGCALGETHJ-UHFFFAOYSA-N
XLogP0.84
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 110908208
1-heptan-2-yl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 43062127
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide
CID 95278008
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
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
1-(1-adamantylmethyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 36968166
1-(4,6-dimethyl-2-pyridinyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 167957081
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea (CID 110894423) is 1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea is CCC(CO)NC(=O)NCc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is JMKAXGCALGETHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-12(9-20)18-14(21)17-8-11-3-4-13(16-7-11)19-6-5-15-10-19/h3-7,10,12,20H,2,8-9H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 289.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 110894423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).