1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea

C23H27N5O — CID 110192490

IUPAC1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea
SMILESCC1(c2ccccc2)N=C(NNC(=O)NC2CCCCC2)C(c2ccccc2)=N1
InChIInChI=1S/C23H27N5O/c1-23(18-13-7-3-8-14-18)25-20(17-11-5-2-6-12-17)21(26-23)27-28-22(29)24-19-15-9-4-10-16-19/h2-3,5-8,11-14,19H,4,9-10,15-16H2,1H3,(H,26,27)(H2,24,28,29)
InChIKeyHXFPFVYCOFGNRX-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.90
Rot. Bonds3

About 1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea

1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea (PubChem CID 110192490) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea
PubChem CID110192490
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea
SMILESCC1(c2ccccc2)N=C(NNC(=O)NC2CCCCC2)C(c2ccccc2)=N1
InChIInChI=1S/C23H27N5O/c1-23(18-13-7-3-8-14-18)25-20(17-11-5-2-6-12-17)21(26-23)27-28-22(29)24-19-15-9-4-10-16-19/h2-3,5-8,11-14,19H,4,9-10,15-16H2,1H3,(H,26,27)(H2,24,28,29)
InChIKeyHXFPFVYCOFGNRX-UHFFFAOYSA-N
XLogP3.90
TPSA77.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea?
The IUPAC name of 1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea (CID 110192490) is 1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea is CC1(c2ccccc2)N=C(NNC(=O)NC2CCCCC2)C(c2ccccc2)=N1.
What is the InChIKey of 1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea?
The InChIKey is HXFPFVYCOFGNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-23(18-13-7-3-8-14-18)25-20(17-11-5-2-6-12-17)21(26-23)27-28-22(29)24-19-15-9-4-10-16-19/h2-3,5-8,11-14,19H,4,9-10,15-16H2,1H3,(H,26,27)(H2,24,28,29).
What are the key properties of 1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea?
1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea has a molecular weight of 389.50 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-methyl-2,5-diphenylimidazol-4-yl)amino]urea is sourced from PubChem (CID 110192490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).