1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole

C14H25N3 — CID 99825714

IUPAC1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
SMILESCC(C)(C)CCN1CCC[C@@H]1Cn1ccnc1
InChIInChI=1S/C14H25N3/c1-14(2,3)6-9-17-8-4-5-13(17)11-16-10-7-15-12-16/h7,10,12-13H,4-6,8-9,11H2,1-3H3/t13-/m1/s1
InChIKeyGZNAZHZXSGFMRT-CYBMUJFWSA-N
MW235.38 g/mol
LogP2.78
Rot. Bonds4

About 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole

1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole (PubChem CID 99825714) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
PubChem CID99825714
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
SMILESCC(C)(C)CCN1CCC[C@@H]1Cn1ccnc1
InChIInChI=1S/C14H25N3/c1-14(2,3)6-9-17-8-4-5-13(17)11-16-10-7-15-12-16/h7,10,12-13H,4-6,8-9,11H2,1-3H3/t13-/m1/s1
InChIKeyGZNAZHZXSGFMRT-CYBMUJFWSA-N
XLogP2.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80675460
1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
CID 99825694
N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62579810
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925868
N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581816
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
CID 54960885
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086
1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704922
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924917
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
1-[1-(3-imidazol-1-ylpropyl)azepan-2-yl]propan-2-one
CID 79559937
1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
CID 91661955

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole?
The IUPAC name of 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole (CID 99825714) is 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole is CC(C)(C)CCN1CCC[C@@H]1Cn1ccnc1.
What is the InChIKey of 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole?
The InChIKey is GZNAZHZXSGFMRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)6-9-17-8-4-5-13(17)11-16-10-7-15-12-16/h7,10,12-13H,4-6,8-9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole?
1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole has a molecular weight of 235.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole is sourced from PubChem (CID 99825714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).