1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one

C10H16N2O — CID 13314354

IUPAC1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one
SMILESCCCc1nc(C(=O)CC)c(C)[nH]1
InChIInChI=1S/C10H16N2O/c1-4-6-9-11-7(3)10(12-9)8(13)5-2/h4-6H2,1-3H3,(H,11,12)
InChIKeyBEMDMAYFDBGPDH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.26
Rot. Bonds4

About 1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one

1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one (PubChem CID 13314354) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one
PubChem CID13314354
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one
SMILESCCCc1nc(C(=O)CC)c(C)[nH]1
InChIInChI=1S/C10H16N2O/c1-4-6-9-11-7(3)10(12-9)8(13)5-2/h4-6H2,1-3H3,(H,11,12)
InChIKeyBEMDMAYFDBGPDH-UHFFFAOYSA-N
XLogP2.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one?
The IUPAC name of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one (CID 13314354) is 1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one?
The canonical SMILES for 1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one is CCCc1nc(C(=O)CC)c(C)[nH]1.
What is the InChIKey of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one?
The InChIKey is BEMDMAYFDBGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-6-9-11-7(3)10(12-9)8(13)5-2/h4-6H2,1-3H3,(H,11,12).
What are the key properties of 1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one?
1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propyl-1H-imidazol-4-yl)propan-1-one is sourced from PubChem (CID 13314354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).