trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride

C15H24ClN3O — CID 70189052

IUPACtrans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C15H23N3O.ClH/c19-15(13-8-12(13)14-9-16-10-18-14)17-7-6-11-4-2-1-3-5-11;/h9-13H,1-8H2,(H,16,18)(H,17,19);1H/t12-,13-;/m1./s1
InChIKeyITWMZUZACMJFCP-OJERSXHUSA-N
MW297.83 g/mol
LogP3.02
Rot. Bonds5

About trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride

trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 70189052) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID70189052
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Nametrans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C15H23N3O.ClH/c19-15(13-8-12(13)14-9-16-10-18-14)17-7-6-11-4-2-1-3-5-11;/h9-13H,1-8H2,(H,16,18)(H,17,19);1H/t12-,13-;/m1./s1
InChIKeyITWMZUZACMJFCP-OJERSXHUSA-N
XLogP3.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride (CID 70189052) is trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1.
What is the InChIKey of trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ITWMZUZACMJFCP-OJERSXHUSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c19-15(13-8-12(13)14-9-16-10-18-14)17-7-6-11-4-2-1-3-5-11;/h9-13H,1-8H2,(H,16,18)(H,17,19);1H/t12-,13-;/m1./s1.
What are the key properties of trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 70189052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).