5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole

C14H15BrClN3O — CID 130401788

IUPAC5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole
SMILESCOc1cc(Br)ccc1-c1cnc([C@@H]2CCCN2Cl)[nH]1
InChIInChI=1S/C14H15BrClN3O/c1-20-13-7-9(15)4-5-10(13)11-8-17-14(18-11)12-3-2-6-19(12)16/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyCACLFPVFMOWEJR-LBPRGKRZSA-N
MW356.65 g/mol
LogP4.14
Rot. Bonds3

About 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole

5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole (PubChem CID 130401788) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole
PubChem CID130401788
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole
SMILESCOc1cc(Br)ccc1-c1cnc([C@@H]2CCCN2Cl)[nH]1
InChIInChI=1S/C14H15BrClN3O/c1-20-13-7-9(15)4-5-10(13)11-8-17-14(18-11)12-3-2-6-19(12)16/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyCACLFPVFMOWEJR-LBPRGKRZSA-N
XLogP4.14
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 91157040
tert-butyl 2-[5-(7-bromoquinolin-3-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67422737
tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 59610569
tert-butyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;hydrobromide
CID 66720422
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 67414908
tert-butyl 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67517415
tert-butyl (2S)-2-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]azocane-1-carboxylate
CID 162592787
1-[2-[5-(3-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 174731623
tert-butyl 2-[5-[4-(5-bromopyrimidin-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 123276464
methyl N-[(2S)-1-[2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67496603
4-(4-bromo-2-methoxyphenyl)-3-chloropyridine
CID 90079502
5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine
CID 143630216

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole (CID 130401788) is 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole is COc1cc(Br)ccc1-c1cnc([C@@H]2CCCN2Cl)[nH]1.
What is the InChIKey of 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole?
The InChIKey is CACLFPVFMOWEJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-20-13-7-9(15)4-5-10(13)11-8-17-14(18-11)12-3-2-6-19(12)16/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole?
5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole has a molecular weight of 356.65 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 130401788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).