N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide

C22H32N4O2 — CID 18349643

IUPACN-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide
SMILESCC(C)(NCC(O)Cn1ccnc1)c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H32N4O2/c1-22(2,24-14-20(27)15-26-13-12-23-16-26)18-10-8-17(9-11-18)21(28)25-19-6-4-3-5-7-19/h8-13,16,19-20,24,27H,3-7,14-15H2,1-2H3,(H,25,28)
InChIKeyRCKDTEWTPBFALF-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.83
Rot. Bonds8

About N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide

N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide (PubChem CID 18349643) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide
PubChem CID18349643
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide
SMILESCC(C)(NCC(O)Cn1ccnc1)c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H32N4O2/c1-22(2,24-14-20(27)15-26-13-12-23-16-26)18-10-8-17(9-11-18)21(28)25-19-6-4-3-5-7-19/h8-13,16,19-20,24,27H,3-7,14-15H2,1-2H3,(H,25,28)
InChIKeyRCKDTEWTPBFALF-UHFFFAOYSA-N
XLogP2.83
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cyclohexyl-4-[[(2R)-1-imidazol-1-ylpropan-2-yl]amino]piperidine-1-carboxamide
CID 95388436
1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol
CID 18349743
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide
CID 119104686
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
CID 43165900

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide?
The IUPAC name of N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide (CID 18349643) is N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide is CC(C)(NCC(O)Cn1ccnc1)c1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide?
The InChIKey is RCKDTEWTPBFALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-22(2,24-14-20(27)15-26-13-12-23-16-26)18-10-8-17(9-11-18)21(28)25-19-6-4-3-5-7-19/h8-13,16,19-20,24,27H,3-7,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide?
N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide has a molecular weight of 384.52 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[(2-hydroxy-3-imidazol-1-ylpropyl)amino]propan-2-yl]benzamide is sourced from PubChem (CID 18349643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).