3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide

C13H22N4O2 — CID 125439867

IUPAC3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide
SMILESCC[C@@H](CNC(=O)c1cncn1C)N1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-3-11(17-4-6-19-7-5-17)8-15-13(18)12-9-14-10-16(12)2/h9-11H,3-8H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyWVRKPBGLVHPEBH-NSHDSACASA-N
MW266.34 g/mol
LogP0.26
Rot. Bonds5

About 3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide

3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide (PubChem CID 125439867) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide
PubChem CID125439867
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide
SMILESCC[C@@H](CNC(=O)c1cncn1C)N1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-3-11(17-4-6-19-7-5-17)8-15-13(18)12-9-14-10-16(12)2/h9-11H,3-8H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyWVRKPBGLVHPEBH-NSHDSACASA-N
XLogP0.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide (CID 125439867) is 3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide is CC[C@@H](CNC(=O)c1cncn1C)N1CCOCC1.
What is the InChIKey of 3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide?
The InChIKey is WVRKPBGLVHPEBH-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-11(17-4-6-19-7-5-17)8-15-13(18)12-9-14-10-16(12)2/h9-11H,3-8H2,1-2H3,(H,15,18)/t11-/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide?
3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide is sourced from PubChem (CID 125439867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).