tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid

C18H25N3O2 — CID 67214955

IUPACtert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid
SMILESCCC[C@H](c1ncc(-c2ccccc2)[nH]1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C18H25N3O2/c1-5-9-15(21(17(22)23)18(2,3)4)16-19-12-14(20-16)13-10-7-6-8-11-13/h6-8,10-12,15H,5,9H2,1-4H3,(H,19,20)(H,22,23)/t15-/m1/s1
InChIKeyCXGOCUBIPVMGMW-OAHLLOKOSA-N
MW315.42 g/mol
LogP4.70
Rot. Bonds5

About tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid

tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid (PubChem CID 67214955) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid
PubChem CID67214955
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Nametert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid
SMILESCCC[C@H](c1ncc(-c2ccccc2)[nH]1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C18H25N3O2/c1-5-9-15(21(17(22)23)18(2,3)4)16-19-12-14(20-16)13-10-7-6-8-11-13/h6-8,10-12,15H,5,9H2,1-4H3,(H,19,20)(H,22,23)/t15-/m1/s1
InChIKeyCXGOCUBIPVMGMW-OAHLLOKOSA-N
XLogP4.70
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid?
The IUPAC name of tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid (CID 67214955) is tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid?
The canonical SMILES for tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid is CCC[C@H](c1ncc(-c2ccccc2)[nH]1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid?
The InChIKey is CXGOCUBIPVMGMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-9-15(21(17(22)23)18(2,3)4)16-19-12-14(20-16)13-10-7-6-8-11-13/h6-8,10-12,15H,5,9H2,1-4H3,(H,19,20)(H,22,23)/t15-/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid?
tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid has a molecular weight of 315.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid is sourced from PubChem (CID 67214955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).