4,5-dipropyl-1H-imidazole

C9H16N2 — CID 12593760

IUPAC4,5-dipropyl-1H-imidazole
SMILESCCCc1nc[nH]c1CCC
InChIInChI=1S/C9H16N2/c1-3-5-8-9(6-4-2)11-7-10-8/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyNYBUEQZKBJIDFL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.31
Rot. Bonds4

About 4,5-dipropyl-1H-imidazole

4,5-dipropyl-1H-imidazole (PubChem CID 12593760) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,5-dipropyl-1H-imidazole.

Molecular Properties

Compound Name4,5-dipropyl-1H-imidazole
PubChem CID12593760
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4,5-dipropyl-1H-imidazole
SMILESCCCc1nc[nH]c1CCC
InChIInChI=1S/C9H16N2/c1-3-5-8-9(6-4-2)11-7-10-8/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyNYBUEQZKBJIDFL-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylhistamine
CID 37463
2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine dihydrochloride
CID 215819
Vuf 5207
CID 11672774
6-(1H-imidazol-5-yl)hexan-1-amine
CID 10261471
10-(1H-imidazol-5-yl)decan-1-amine
CID 10263017
8-(1H-imidazol-5-yl)octan-1-amine
CID 10420190
(1H-Imidazol-4-yl)nonane
CID 21193634
4-Methylburimamide
CID 3084972
4,5,6,7-Tetrahydro-1H-benzimidazole
CID 304263
11-(1H-imidazol-5-yl)undecan-1-amine
CID 11333854
12-(1H-imidazol-5-yl)dodecan-1-amine
CID 11459394
N-butyl-5-(1H-imidazol-5-yl)pentan-1-amine
CID 11572015

Frequently Asked Questions

What is the IUPAC name of 4,5-dipropyl-1H-imidazole?
The IUPAC name of 4,5-dipropyl-1H-imidazole (CID 12593760) is 4,5-dipropyl-1H-imidazole.
What is the SMILES notation for 4,5-dipropyl-1H-imidazole?
The canonical SMILES for 4,5-dipropyl-1H-imidazole is CCCc1nc[nH]c1CCC.
What is the InChIKey of 4,5-dipropyl-1H-imidazole?
The InChIKey is NYBUEQZKBJIDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-8-9(6-4-2)11-7-10-8/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 4,5-dipropyl-1H-imidazole?
4,5-dipropyl-1H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropyl-1H-imidazole is sourced from PubChem (CID 12593760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).