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

C16H29N3O2S — CID 7115237

IUPAC2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCCCCn1c(CO)cnc1SCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H29N3O2S/c1-6-7-8-18-14(10-20)9-17-16(18)22-11-15(21)19(12(2)3)13(4)5/h9,12-13,20H,6-8,10-11H2,1-5H3
InChIKeyPDDSSUZIVPGZRD-UHFFFAOYSA-N
MW327.49 g/mol
LogP2.91
Rot. Bonds9

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

2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 7115237) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID7115237
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC Name2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCCCCn1c(CO)cnc1SCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H29N3O2S/c1-6-7-8-18-14(10-20)9-17-16(18)22-11-15(21)19(12(2)3)13(4)5/h9,12-13,20H,6-8,10-11H2,1-5H3
InChIKeyPDDSSUZIVPGZRD-UHFFFAOYSA-N
XLogP2.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide (CID 7115237) is 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide is CCCCn1c(CO)cnc1SCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is PDDSSUZIVPGZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-6-7-8-18-14(10-20)9-17-16(18)22-11-15(21)19(12(2)3)13(4)5/h9,12-13,20H,6-8,10-11H2,1-5H3.
What are the key properties of 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 327.49 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 7115237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).