5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole

C15H18BrN3O — CID 123588571

IUPAC5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole
SMILESCOCC1CNC(c2ncc(-c3ccc(Br)cc3)[nH]2)C1
InChIInChI=1S/C15H18BrN3O/c1-20-9-10-6-13(17-7-10)15-18-8-14(19-15)11-2-4-12(16)5-3-11/h2-5,8,10,13,17H,6-7,9H2,1H3,(H,18,19)
InChIKeyLSHAVMFPCCVDRJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.14
Rot. Bonds4

About 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole

5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole (PubChem CID 123588571) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole
PubChem CID123588571
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole
SMILESCOCC1CNC(c2ncc(-c3ccc(Br)cc3)[nH]2)C1
InChIInChI=1S/C15H18BrN3O/c1-20-9-10-6-13(17-7-10)15-18-8-14(19-15)11-2-4-12(16)5-3-11/h2-5,8,10,13,17H,6-7,9H2,1H3,(H,18,19)
InChIKeyLSHAVMFPCCVDRJ-UHFFFAOYSA-N
XLogP3.14
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine
CID 131735785
5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61214388
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
CID 144634079
CID 144634079
(3R,5S)-5-[5-[4-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-3-ol
CID 59669031
6-[(4S)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]-17-[2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene
CID 118312152
3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 129096472
5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61213947
5-(1,3-benzodioxol-5-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61214973
3-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63047168
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-methoxypyrrolidine-1-carboxylate
CID 56962039

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole (CID 123588571) is 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole is COCC1CNC(c2ncc(-c3ccc(Br)cc3)[nH]2)C1.
What is the InChIKey of 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is LSHAVMFPCCVDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-9-10-6-13(17-7-10)15-18-8-14(19-15)11-2-4-12(16)5-3-11/h2-5,8,10,13,17H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole?
5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 336.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 123588571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).