1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea

C15H20N4O2 — CID 110908208

IUPAC1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
SMILESCCC(CO)NC(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H20N4O2/c1-2-13(10-20)18-15(21)17-9-12-3-5-14(6-4-12)19-8-7-16-11-19/h3-8,11,13,20H,2,9-10H2,1H3,(H2,17,18,21)
InChIKeySFFTWXDMXCPONQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.44
Rot. Bonds6

About 1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea

1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea (PubChem CID 110908208) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
PubChem CID110908208
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
SMILESCCC(CO)NC(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H20N4O2/c1-2-13(10-20)18-15(21)17-9-12-3-5-14(6-4-12)19-8-7-16-11-19/h3-8,11,13,20H,2,9-10H2,1H3,(H2,17,18,21)
InChIKeySFFTWXDMXCPONQ-UHFFFAOYSA-N
XLogP1.44
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 110894423
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 111618688
4-[[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020873
4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020693
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
1-(1-hydroxybutan-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 110892404
1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 171697953
1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 86850595
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea (CID 110908208) is 1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea is CCC(CO)NC(=O)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The InChIKey is SFFTWXDMXCPONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-13(10-20)18-15(21)17-9-12-3-5-14(6-4-12)19-8-7-16-11-19/h3-8,11,13,20H,2,9-10H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea has a molecular weight of 288.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 110908208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).