3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide

C12H17N5O — CID 56863574

IUPAC3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide
SMILESCCCn1ccnc1-c1nccn1CCC(N)=O
InChIInChI=1S/C12H17N5O/c1-2-6-16-8-4-14-11(16)12-15-5-9-17(12)7-3-10(13)18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,13,18)
InChIKeyAMVSXNRXALEKKK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.03
Rot. Bonds6

About 3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide

3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide (PubChem CID 56863574) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide
PubChem CID56863574
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide
SMILESCCCn1ccnc1-c1nccn1CCC(N)=O
InChIInChI=1S/C12H17N5O/c1-2-6-16-8-4-14-11(16)12-15-5-9-17(12)7-3-10(13)18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,13,18)
InChIKeyAMVSXNRXALEKKK-UHFFFAOYSA-N
XLogP1.03
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide?
The IUPAC name of 3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide (CID 56863574) is 3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide.
What is the SMILES notation for 3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide?
The canonical SMILES for 3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide is CCCn1ccnc1-c1nccn1CCC(N)=O.
What is the InChIKey of 3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide?
The InChIKey is AMVSXNRXALEKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-6-16-8-4-14-11(16)12-15-5-9-17(12)7-3-10(13)18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,13,18).
What are the key properties of 3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide?
3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-propylimidazol-2-yl)imidazol-1-yl]propanamide is sourced from PubChem (CID 56863574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).