1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea

C16H20N4O2 — CID 111435009

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
SMILESCn1ccnc1-c1cccc(NC(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C16H20N4O2/c1-19-8-7-17-15(19)12-3-2-4-13(11-12)18-16(22)20(9-10-21)14-5-6-14/h2-4,7-8,11,14,21H,5-6,9-10H2,1H3,(H,18,22)
InChIKeyIKHOMRMHCXIWHS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.08
Rot. Bonds5

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea (PubChem CID 111435009) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
PubChem CID111435009
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
SMILESCn1ccnc1-c1cccc(NC(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C16H20N4O2/c1-19-8-7-17-15(19)12-3-2-4-13(11-12)18-16(22)20(9-10-21)14-5-6-14/h2-4,7-8,11,14,21H,5-6,9-10H2,1H3,(H,18,22)
InChIKeyIKHOMRMHCXIWHS-UHFFFAOYSA-N
XLogP2.08
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 84584319
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
1-cyclopropyl-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-(2-hydroxyethyl)urea
CID 111110138
1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119856062
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 60557169
1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474632
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119856068

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea (CID 111435009) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea is Cn1ccnc1-c1cccc(NC(=O)N(CCO)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The InChIKey is IKHOMRMHCXIWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-8-7-17-15(19)12-3-2-4-13(11-12)18-16(22)20(9-10-21)14-5-6-14/h2-4,7-8,11,14,21H,5-6,9-10H2,1H3,(H,18,22).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea is sourced from PubChem (CID 111435009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).