1-propan-2-yl-5-propylimidazole

C9H16N2 — CID 139308338

IUPAC1-propan-2-yl-5-propylimidazole
SMILESCCCc1cncn1C(C)C
InChIInChI=1S/C9H16N2/c1-4-5-9-6-10-7-11(9)8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyVVXBZYMOIZPDCK-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds3

About 1-propan-2-yl-5-propylimidazole

1-propan-2-yl-5-propylimidazole (PubChem CID 139308338) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-propan-2-yl-5-propylimidazole.

Molecular Properties

Compound Name1-propan-2-yl-5-propylimidazole
PubChem CID139308338
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-propan-2-yl-5-propylimidazole
SMILESCCCc1cncn1C(C)C
InChIInChI=1S/C9H16N2/c1-4-5-9-6-10-7-11(9)8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyVVXBZYMOIZPDCK-UHFFFAOYSA-N
XLogP2.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
CID 59650396
2-(3-propan-2-ylimidazol-4-yl)acetonitrile
CID 84763142
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
ethane;1-methyl-5-propylimidazole
CID 143528029
N-[(3-propan-2-ylimidazol-4-yl)methyl]hex-1-yn-3-amine
CID 106227160
2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66130085
(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 104868842
1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine
CID 66162188
2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol
CID 114169219
methyl 1-[(3-propan-2-ylimidazol-4-yl)methyl]-5-propyltriazole-4-carboxylate
CID 103113440
N-ethyl-1-[4-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]phenyl]ethanamine
CID 66153276
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-propylimidazole?
The IUPAC name of 1-propan-2-yl-5-propylimidazole (CID 139308338) is 1-propan-2-yl-5-propylimidazole.
What is the SMILES notation for 1-propan-2-yl-5-propylimidazole?
The canonical SMILES for 1-propan-2-yl-5-propylimidazole is CCCc1cncn1C(C)C.
What is the InChIKey of 1-propan-2-yl-5-propylimidazole?
The InChIKey is VVXBZYMOIZPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-9-6-10-7-11(9)8(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-propan-2-yl-5-propylimidazole?
1-propan-2-yl-5-propylimidazole has a molecular weight of 152.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-propylimidazole is sourced from PubChem (CID 139308338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).