1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole

C15H27N3 — CID 114720735

IUPAC1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCCC(C)CC(C)n1cncc1C1(C)CCNC1
InChIInChI=1S/C15H27N3/c1-5-12(2)8-13(3)18-11-17-9-14(18)15(4)6-7-16-10-15/h9,11-13,16H,5-8,10H2,1-4H3
InChIKeyMOHGLTDALAUHQK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.13
Rot. Bonds5

About 1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole

1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114720735) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114720735
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCCC(C)CC(C)n1cncc1C1(C)CCNC1
InChIInChI=1S/C15H27N3/c1-5-12(2)8-13(3)18-11-17-9-14(18)15(4)6-7-16-10-15/h9,11-13,16H,5-8,10H2,1-4H3
InChIKeyMOHGLTDALAUHQK-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716083
5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole
CID 114720919
2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide
CID 114719612
2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide
CID 114721712
1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114722180
4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine
CID 114719163
1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114718607
N,N-dimethyl-2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethanamine
CID 114717474
1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 106194376
1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114719456
N,N,4-trimethyl-2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]pentan-1-amine
CID 114718631
1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole
CID 114250843

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114720735) is 1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole is CCC(C)CC(C)n1cncc1C1(C)CCNC1.
What is the InChIKey of 1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is MOHGLTDALAUHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-12(2)8-13(3)18-11-17-9-14(18)15(4)6-7-16-10-15/h9,11-13,16H,5-8,10H2,1-4H3.
What are the key properties of 1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 249.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114720735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).