2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide

C16H29N3O2S — CID 7302014

IUPAC2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)Cn1c(CO)cnc1SCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H29N3O2S/c1-11(2)8-18-14(9-20)7-17-16(18)22-10-15(21)19(12(3)4)13(5)6/h7,11-13,20H,8-10H2,1-6H3
InChIKeyXCYDVXVPHRHOEK-UHFFFAOYSA-N
MW327.49 g/mol
LogP2.77
Rot. Bonds8

About 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide

2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 7302014) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID7302014
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC Name2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)Cn1c(CO)cnc1SCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H29N3O2S/c1-11(2)8-18-14(9-20)7-17-16(18)22-10-15(21)19(12(3)4)13(5)6/h7,11-13,20H,8-10H2,1-6H3
InChIKeyXCYDVXVPHRHOEK-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide (CID 7302014) is 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide is CC(C)Cn1c(CO)cnc1SCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is XCYDVXVPHRHOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-11(2)8-18-14(9-20)7-17-16(18)22-10-15(21)19(12(3)4)13(5)6/h7,11-13,20H,8-10H2,1-6H3.
What are the key properties of 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 327.49 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 7302014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).