2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole

C17H27N5 — CID 125025801

IUPAC2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
SMILESCCCCc1ncc(CN2CC[C@@H](c3nc(C)cn3C)C2)[nH]1
InChIInChI=1S/C17H27N5/c1-4-5-6-16-18-9-15(20-16)12-22-8-7-14(11-22)17-19-13(2)10-21(17)3/h9-10,14H,4-8,11-12H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyZPESOBZXRXJNNV-CQSZACIVSA-N
MW301.44 g/mol
LogP2.78
Rot. Bonds6

About 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole

2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole (PubChem CID 125025801) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole.

Molecular Properties

Compound Name2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
PubChem CID125025801
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
SMILESCCCCc1ncc(CN2CC[C@@H](c3nc(C)cn3C)C2)[nH]1
InChIInChI=1S/C17H27N5/c1-4-5-6-16-18-9-15(20-16)12-22-8-7-14(11-22)17-19-13(2)10-21(17)3/h9-10,14H,4-8,11-12H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyZPESOBZXRXJNNV-CQSZACIVSA-N
XLogP2.78
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole with MolForge

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Related Compounds

2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
CID 124956944
(1S,9S)-11-[(2-butyl-1H-imidazol-5-yl)methyl]-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118783565
4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030463
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride
CID 154908850
(3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine
CID 72862184
1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole
CID 124959858
2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 124949205
1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 110106399
1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 124947645
N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 131929434
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45205775
N-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-methylpiperidin-3-amine
CID 45228125

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole?
The IUPAC name of 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole (CID 125025801) is 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole.
What is the SMILES notation for 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole?
The canonical SMILES for 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole is CCCCc1ncc(CN2CC[C@@H](c3nc(C)cn3C)C2)[nH]1.
What is the InChIKey of 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole?
The InChIKey is ZPESOBZXRXJNNV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N5/c1-4-5-6-16-18-9-15(20-16)12-22-8-7-14(11-22)17-19-13(2)10-21(17)3/h9-10,14H,4-8,11-12H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole?
2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole has a molecular weight of 301.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole is sourced from PubChem (CID 125025801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).