[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate

C26H32N4O2 — CID 154081756

IUPAC[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate
SMILESCC(CC1CCCCC1)NCc1ccccc1OC(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C26H32N4O2/c1-20(17-21-7-3-2-4-8-21)28-18-22-9-5-6-10-25(22)32-26(31)29-23-11-13-24(14-12-23)30-16-15-27-19-30/h5-6,9-16,19-21,28H,2-4,7-8,17-18H2,1H3,(H,29,31)
InChIKeyIPVKSTHJHRZRNO-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.93
Rot. Bonds8

About [2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate

[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate (PubChem CID 154081756) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is [2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate.

Molecular Properties

Compound Name[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate
PubChem CID154081756
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate
SMILESCC(CC1CCCCC1)NCc1ccccc1OC(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C26H32N4O2/c1-20(17-21-7-3-2-4-8-21)28-18-22-9-5-6-10-25(22)32-26(31)29-23-11-13-24(14-12-23)30-16-15-27-19-30/h5-6,9-16,19-21,28H,2-4,7-8,17-18H2,1H3,(H,29,31)
InChIKeyIPVKSTHJHRZRNO-UHFFFAOYSA-N
XLogP5.93
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate?
The IUPAC name of [2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate (CID 154081756) is [2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate.
What is the SMILES notation for [2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate?
The canonical SMILES for [2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate is CC(CC1CCCCC1)NCc1ccccc1OC(=O)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of [2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate?
The InChIKey is IPVKSTHJHRZRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-20(17-21-7-3-2-4-8-21)28-18-22-9-5-6-10-25(22)32-26(31)29-23-11-13-24(14-12-23)30-16-15-27-19-30/h5-6,9-16,19-21,28H,2-4,7-8,17-18H2,1H3,(H,29,31).
What are the key properties of [2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate?
[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate has a molecular weight of 432.57 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate is sourced from PubChem (CID 154081756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).