1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole

C15H21N3S — CID 95215257

IUPAC1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole
SMILESCc1ccsc1-c1nccn1CC[C@H]1CCCN1C
InChIInChI=1S/C15H21N3S/c1-12-6-11-19-14(12)15-16-7-10-18(15)9-5-13-4-3-8-17(13)2/h6-7,10-11,13H,3-5,8-9H2,1-2H3/t13-/m1/s1
InChIKeyDSMIORDTATZMKO-CYBMUJFWSA-N
MW275.42 g/mol
LogP3.40
Rot. Bonds4

About 1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole

1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole (PubChem CID 95215257) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole.

Molecular Properties

Compound Name1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole
PubChem CID95215257
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole
SMILESCc1ccsc1-c1nccn1CC[C@H]1CCCN1C
InChIInChI=1S/C15H21N3S/c1-12-6-11-19-14(12)15-16-7-10-18(15)9-5-13-4-3-8-17(13)2/h6-7,10-11,13H,3-5,8-9H2,1-2H3/t13-/m1/s1
InChIKeyDSMIORDTATZMKO-CYBMUJFWSA-N
XLogP3.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-Thiophen-3-ylphenyl)propyl]imidazole
CID 25099144
1-[1-(4-Thiophen-3-ylphenyl)ethyl]imidazole
CID 25099145
1-[1-[4-(4-Methylthiophen-3-yl)phenyl]propyl]imidazole
CID 44456224
1-methyl-4-(thiophen-3-yl)-1H-imidazole
CID 6539906
1-((4-phenylthiophen-2-yl)methyl)-1H-imidazole
CID 44455927
1-(5-Phenyl-thiophen-2-ylmethyl)-1H-imidazole
CID 53319147
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 75382647
3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 853036
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 71916239
1-[(1-Methyl-4-phenyl-pyrrol-3-yl)-(2-thienyl)methyl]imidazole
CID 460722
1-[(1-Methyl-4-phenyl-pyrrol-3-yl)-(3-thienyl)methyl]imidazole
CID 460724
N-[(2,5-difluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 16676725

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole?
The IUPAC name of 1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole (CID 95215257) is 1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole.
What is the SMILES notation for 1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole?
The canonical SMILES for 1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole is Cc1ccsc1-c1nccn1CC[C@H]1CCCN1C.
What is the InChIKey of 1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole?
The InChIKey is DSMIORDTATZMKO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-6-11-19-14(12)15-16-7-10-18(15)9-5-13-4-3-8-17(13)2/h6-7,10-11,13H,3-5,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole?
1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole has a molecular weight of 275.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole is sourced from PubChem (CID 95215257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).