5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

C15H19N3 — CID 61363930

IUPAC5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESCc1ccccc1-c1cnc(CC2CCCN2)[nH]1
InChIInChI=1S/C15H19N3/c1-11-5-2-3-7-13(11)14-10-17-15(18-14)9-12-6-4-8-16-12/h2-3,5,7,10,12,16H,4,6,8-9H2,1H3,(H,17,18)
InChIKeyNCERHHIUJBUIOW-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.68
Rot. Bonds3

About 5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (PubChem CID 61363930) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
PubChem CID61363930
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESCc1ccccc1-c1cnc(CC2CCCN2)[nH]1
InChIInChI=1S/C15H19N3/c1-11-5-2-3-7-13(11)14-10-17-15(18-14)9-12-6-4-8-16-12/h2-3,5,7,10,12,16H,4,6,8-9H2,1H3,(H,17,18)
InChIKeyNCERHHIUJBUIOW-UHFFFAOYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851238
4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole
CID 115053743
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 114083168
5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366673
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690
4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 112679327
5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366282
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 116877651

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (CID 61363930) is 5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is Cc1ccccc1-c1cnc(CC2CCCN2)[nH]1.
What is the InChIKey of 5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The InChIKey is NCERHHIUJBUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-5-2-3-7-13(11)14-10-17-15(18-14)9-12-6-4-8-16-12/h2-3,5,7,10,12,16H,4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole has a molecular weight of 241.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 61363930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).