1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea

C18H24N4O2 — CID 111630738

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1-n1ccnc1)NC1CCCCC1CO
InChIInChI=1S/C18H24N4O2/c23-12-15-6-1-3-7-16(15)21-18(24)20-11-14-5-2-4-8-17(14)22-10-9-19-13-22/h2,4-5,8-10,13,15-16,23H,1,3,6-7,11-12H2,(H2,20,21,24)
InChIKeyLFUVXYDFMNXGNS-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea

1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea (PubChem CID 111630738) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
PubChem CID111630738
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1-n1ccnc1)NC1CCCCC1CO
InChIInChI=1S/C18H24N4O2/c23-12-15-6-1-3-7-16(15)21-18(24)20-11-14-5-2-4-8-17(14)22-10-9-19-13-22/h2,4-5,8-10,13,15-16,23H,1,3,6-7,11-12H2,(H2,20,21,24)
InChIKeyLFUVXYDFMNXGNS-UHFFFAOYSA-N
XLogP2.22
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide
CID 136578959
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134
1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580591
N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
CID 129369503
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 111505245
1-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110959252
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 60576964

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea (CID 111630738) is 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea is O=C(NCc1ccccc1-n1ccnc1)NC1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea?
The InChIKey is LFUVXYDFMNXGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-12-15-6-1-3-7-16(15)21-18(24)20-11-14-5-2-4-8-17(14)22-10-9-19-13-22/h2,4-5,8-10,13,15-16,23H,1,3,6-7,11-12H2,(H2,20,21,24).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 111630738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).