1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole

C17H23N3 — CID 95595150

IUPAC1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
SMILESCn1ccnc1CN1CCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C17H23N3/c1-19-13-11-18-17(19)14-20-12-5-8-16(20)10-9-15-6-3-2-4-7-15/h2-4,6-7,11,13,16H,5,8-10,12,14H2,1H3/t16-/m1/s1
InChIKeyPGKUAGNXBSYYSX-MRXNPFEDSA-N
MW269.39 g/mol
LogP3.02
Rot. Bonds5

About 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole

1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole (PubChem CID 95595150) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
PubChem CID95595150
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
SMILESCn1ccnc1CN1CCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C17H23N3/c1-19-13-11-18-17(19)14-20-12-5-8-16(20)10-9-15-6-3-2-4-7-15/h2-4,6-7,11,13,16H,5,8-10,12,14H2,1H3/t16-/m1/s1
InChIKeyPGKUAGNXBSYYSX-MRXNPFEDSA-N
XLogP3.02
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-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-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320679
4-[2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124946744
2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 70732316
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45228567
[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 110898884
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine
CID 119930243
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 70770431

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole?
The IUPAC name of 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole (CID 95595150) is 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole?
The canonical SMILES for 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole is Cn1ccnc1CN1CCC[C@@H]1CCc1ccccc1.
What is the InChIKey of 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole?
The InChIKey is PGKUAGNXBSYYSX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3/c1-19-13-11-18-17(19)14-20-12-5-8-16(20)10-9-15-6-3-2-4-7-15/h2-4,6-7,11,13,16H,5,8-10,12,14H2,1H3/t16-/m1/s1.
What are the key properties of 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole?
1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole has a molecular weight of 269.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole is sourced from PubChem (CID 95595150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).