5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole

C17H16BrN3S — CID 150236542

IUPAC5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
SMILESBrc1ccc(-c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)s1
InChIInChI=1S/C17H16BrN3S/c18-16-8-7-15(22-16)12-5-3-11(4-6-12)14-10-20-17(21-14)13-2-1-9-19-13/h3-8,10,13,19H,1-2,9H2,(H,20,21)
InChIKeyFWPXXDPEVRGMAA-UHFFFAOYSA-N
MW374.31 g/mol
LogP4.99
Rot. Bonds3

About 5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole

5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 150236542) has the molecular formula C17H16BrN3S and a molecular weight of 374.31 g/mol. Its IUPAC name is 5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID150236542
Molecular FormulaC17H16BrN3S
Molecular Weight374.31 g/mol
Exact Mass373.02
IUPAC Name5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
SMILESBrc1ccc(-c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)s1
InChIInChI=1S/C17H16BrN3S/c18-16-8-7-15(22-16)12-5-3-11(4-6-12)14-10-20-17(21-14)13-2-1-9-19-13/h3-8,10,13,19H,1-2,9H2,(H,20,21)
InChIKeyFWPXXDPEVRGMAA-UHFFFAOYSA-N
XLogP4.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
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4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
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2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
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5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
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CID 59450040
2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
CID 58209611
5-(4-azidophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 71580527
6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole
CID 141284413

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole (CID 150236542) is 5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole is Brc1ccc(-c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)s1.
What is the InChIKey of 5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is FWPXXDPEVRGMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3S/c18-16-8-7-15(22-16)12-5-3-11(4-6-12)14-10-20-17(21-14)13-2-1-9-19-13/h3-8,10,13,19H,1-2,9H2,(H,20,21).
What are the key properties of 5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 374.31 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 150236542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).