(1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide

C13H21N3O — CID 126444877

IUPAC(1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2CC2(C)C)n(C)c1C
InChIInChI=1S/C13H21N3O/c1-8-9(2)16(5)11(15-8)7-14-12(17)10-6-13(10,3)4/h10H,6-7H2,1-5H3,(H,14,17)/t10-/m0/s1
InChIKeyAYELSDSMFATAHW-JTQLQIEISA-N
MW235.33 g/mol
LogP1.70
Rot. Bonds3

About (1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide

(1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 126444877) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID126444877
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2CC2(C)C)n(C)c1C
InChIInChI=1S/C13H21N3O/c1-8-9(2)16(5)11(15-8)7-14-12(17)10-6-13(10,3)4/h10H,6-7H2,1-5H3,(H,14,17)/t10-/m0/s1
InChIKeyAYELSDSMFATAHW-JTQLQIEISA-N
XLogP1.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 126444877) is (1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is Cc1nc(CNC(=O)[C@@H]2CC2(C)C)n(C)c1C.
What is the InChIKey of (1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is AYELSDSMFATAHW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O/c1-8-9(2)16(5)11(15-8)7-14-12(17)10-6-13(10,3)4/h10H,6-7H2,1-5H3,(H,14,17)/t10-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
(1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126444877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).