1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole

C14H26N4 — CID 126581115

IUPAC1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole
SMILESCC(C)N1C=CN(C(C)CCN2C=CN(C)C2)C1
InChIInChI=1S/C14H26N4/c1-13(2)17-9-10-18(12-17)14(3)5-6-16-8-7-15(4)11-16/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeySPWDKOCLOIBZSA-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.90
Rot. Bonds5

About 1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole

1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole (PubChem CID 126581115) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole
PubChem CID126581115
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole
SMILESCC(C)N1C=CN(C(C)CCN2C=CN(C)C2)C1
InChIInChI=1S/C14H26N4/c1-13(2)17-9-10-18(12-17)14(3)5-6-16-8-7-15(4)11-16/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeySPWDKOCLOIBZSA-UHFFFAOYSA-N
XLogP1.90
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride
CID 174924847
3-(3-methyl-2H-imidazol-1-yl)propan-1-amine
CID 91409867
1-nonadecyl-3-propan-2-yl-2H-imidazole
CID 69389756
(3-methyl-2H-imidazol-1-yl)methanamine
CID 67991227
1-methyl-3-propyl-2H-imidazole;hydroiodide
CID 67338438
ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162283756
1-butyl-3-methyl-2H-imidazole
CID 10265934
(3-methyl-2H-imidazol-1-yl)methanol;hydrochloride
CID 175484301
1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole
CID 171061505
1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine
CID 140611334
N-methyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
CID 67240733
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole?
The IUPAC name of 1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole (CID 126581115) is 1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole.
What is the SMILES notation for 1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole?
The canonical SMILES for 1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole is CC(C)N1C=CN(C(C)CCN2C=CN(C)C2)C1.
What is the InChIKey of 1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole?
The InChIKey is SPWDKOCLOIBZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13(2)17-9-10-18(12-17)14(3)5-6-16-8-7-15(4)11-16/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of 1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole?
1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole has a molecular weight of 250.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole is sourced from PubChem (CID 126581115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).