2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole

C16H21N3 — CID 95124127

IUPAC2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
SMILESCc1ncc(-c2cccc([C@@H](C)N3CCCC3)c2)[nH]1
InChIInChI=1S/C16H21N3/c1-12(19-8-3-4-9-19)14-6-5-7-15(10-14)16-11-17-13(2)18-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyKFQWMXSEPHNTBU-GFCCVEGCSA-N
MW255.37 g/mol
LogP3.54
Rot. Bonds3

About 2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole

2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole (PubChem CID 95124127) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
PubChem CID95124127
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
SMILESCc1ncc(-c2cccc([C@@H](C)N3CCCC3)c2)[nH]1
InChIInChI=1S/C16H21N3/c1-12(19-8-3-4-9-19)14-6-5-7-15(10-14)16-11-17-13(2)18-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyKFQWMXSEPHNTBU-GFCCVEGCSA-N
XLogP3.54
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
5-chloro-2-methyl-4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrimidin-6-one
CID 136915021
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126436936
2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 121495759
2-methyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126425290
N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
CID 95133357
4-[3-(1-pyrrolidin-1-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 50980934
3-methylsulfanyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126427612
3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126437933
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole?
The IUPAC name of 2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole (CID 95124127) is 2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole is Cc1ncc(-c2cccc([C@@H](C)N3CCCC3)c2)[nH]1.
What is the InChIKey of 2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole?
The InChIKey is KFQWMXSEPHNTBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(19-8-3-4-9-19)14-6-5-7-15(10-14)16-11-17-13(2)18-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole?
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole has a molecular weight of 255.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole is sourced from PubChem (CID 95124127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).