2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole

C12H21N3 — CID 121475961

IUPAC2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCN1CCCC1c1cnc(C(C)(C)C)[nH]1
InChIInChI=1S/C12H21N3/c1-12(2,3)11-13-8-9(14-11)10-6-5-7-15(10)4/h8,10H,5-7H2,1-4H3,(H,13,14)
InChIKeyUFCLYFJCOPNCRD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.47
Rot. Bonds1

About 2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole

2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole (PubChem CID 121475961) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole
PubChem CID121475961
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCN1CCCC1c1cnc(C(C)(C)C)[nH]1
InChIInChI=1S/C12H21N3/c1-12(2,3)11-13-8-9(14-11)10-6-5-7-15(10)4/h8,10H,5-7H2,1-4H3,(H,13,14)
InChIKeyUFCLYFJCOPNCRD-UHFFFAOYSA-N
XLogP2.47
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
alpha-methylhistamine, (R)-
CID 156615
(S)-alpha-Methylhistamine
CID 6603865
4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 9815231
Vuf 5207
CID 11672774
4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 10329450
Vuf 4904
CID 11492393
(S)-4-(Pyrrolidin-3-ylmethyl)-1H-imidazole
CID 44367568
4-((3R,4R)-4-methylpyrrolidin-3-yl)-1H-imidazole
CID 9815232
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine
CID 11210869
4-(1H-imidazol-5-yl)-N-propylbutan-1-amine
CID 11600779
4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine
CID 11600780

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole (CID 121475961) is 2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole is CN1CCCC1c1cnc(C(C)(C)C)[nH]1.
What is the InChIKey of 2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The InChIKey is UFCLYFJCOPNCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)11-13-8-9(14-11)10-6-5-7-15(10)4/h8,10H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole?
2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole has a molecular weight of 207.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1-methylpyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 121475961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).