1-(4-methylpentyl)-2-propylimidazole

C12H22N2 — CID 83169083

IUPAC1-(4-methylpentyl)-2-propylimidazole
SMILESCCCc1nccn1CCCC(C)C
InChIInChI=1S/C12H22N2/c1-4-6-12-13-8-10-14(12)9-5-7-11(2)3/h8,10-11H,4-7,9H2,1-3H3
InChIKeyLQKVILVYGQGSMK-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.27
Rot. Bonds6

About 1-(4-methylpentyl)-2-propylimidazole

1-(4-methylpentyl)-2-propylimidazole (PubChem CID 83169083) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(4-methylpentyl)-2-propylimidazole.

Molecular Properties

Compound Name1-(4-methylpentyl)-2-propylimidazole
PubChem CID83169083
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(4-methylpentyl)-2-propylimidazole
SMILESCCCc1nccn1CCCC(C)C
InChIInChI=1S/C12H22N2/c1-4-6-12-13-8-10-14(12)9-5-7-11(2)3/h8,10-11H,4-7,9H2,1-3H3
InChIKeyLQKVILVYGQGSMK-UHFFFAOYSA-N
XLogP3.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
1,2-di(pentadecyl)imidazole
CID 69388452
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole
CID 103857951
N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine
CID 79761328
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
2-butyl-1-(3-propan-2-yloxypropyl)imidazole
CID 57089790
3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
CID 140833527
6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine
CID 106800331

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-2-propylimidazole?
The IUPAC name of 1-(4-methylpentyl)-2-propylimidazole (CID 83169083) is 1-(4-methylpentyl)-2-propylimidazole.
What is the SMILES notation for 1-(4-methylpentyl)-2-propylimidazole?
The canonical SMILES for 1-(4-methylpentyl)-2-propylimidazole is CCCc1nccn1CCCC(C)C.
What is the InChIKey of 1-(4-methylpentyl)-2-propylimidazole?
The InChIKey is LQKVILVYGQGSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-12-13-8-10-14(12)9-5-7-11(2)3/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 1-(4-methylpentyl)-2-propylimidazole?
1-(4-methylpentyl)-2-propylimidazole has a molecular weight of 194.32 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-2-propylimidazole is sourced from PubChem (CID 83169083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).