2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine

C18H20N4S — CID 95815698

IUPAC2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine
SMILESCc1nccn1-c1cccc([C@@H]2CCCN2Cc2cccs2)n1
InChIInChI=1S/C18H20N4S/c1-14-19-9-11-22(14)18-8-2-6-16(20-18)17-7-3-10-21(17)13-15-5-4-12-23-15/h2,4-6,8-9,11-12,17H,3,7,10,13H2,1H3/t17-/m0/s1
InChIKeyBNWAUIWOIKFTPW-KRWDZBQOSA-N
MW324.45 g/mol
LogP3.97
Rot. Bonds4

About 2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine

2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine (PubChem CID 95815698) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine
PubChem CID95815698
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine
SMILESCc1nccn1-c1cccc([C@@H]2CCCN2Cc2cccs2)n1
InChIInChI=1S/C18H20N4S/c1-14-19-9-11-22(14)18-8-2-6-16(20-18)17-7-3-10-21(17)13-15-5-4-12-23-15/h2,4-6,8-9,11-12,17H,3,7,10,13H2,1H3/t17-/m0/s1
InChIKeyBNWAUIWOIKFTPW-KRWDZBQOSA-N
XLogP3.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95826950
2-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95815925
2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244795
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(2-methylimidazol-1-yl)pyridine
CID 110253556
2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
CID 95838711
N-methyl-4-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124966086
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95815941
cyclopentyl-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838436
cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838423
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyridine
CID 110268024
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839005
(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95838692

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine (CID 95815698) is 2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine is Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2cccs2)n1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine?
The InChIKey is BNWAUIWOIKFTPW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N4S/c1-14-19-9-11-22(14)18-8-2-6-16(20-18)17-7-3-10-21(17)13-15-5-4-12-23-15/h2,4-6,8-9,11-12,17H,3,7,10,13H2,1H3/t17-/m0/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine?
2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine has a molecular weight of 324.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-6-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95815698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).