(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

C20H20BrN3O2 — CID 92717240

IUPAC(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOCCn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21
InChIInChI=1S/C20H20BrN3O2/c1-26-11-10-23-18-5-3-2-4-17(18)22-20(23)14-12-19(25)24(13-14)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3/t14-/m0/s1
InChIKeyDUKJTNMGKFIRJV-AWEZNQCLSA-N
MW414.30 g/mol
LogP3.97
Rot. Bonds5

About (4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 92717240) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is (4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID92717240
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOCCn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21
InChIInChI=1S/C20H20BrN3O2/c1-26-11-10-23-18-5-3-2-4-17(18)22-20(23)14-12-19(25)24(13-14)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3/t14-/m0/s1
InChIKeyDUKJTNMGKFIRJV-AWEZNQCLSA-N
XLogP3.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40841127
1-(4-bromophenyl)-4-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004751
(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080478
1-(4-bromophenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753955
1-(4-bromophenyl)-4-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004720
1-(4-bromophenyl)-4-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004710
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964843
(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136822
1-(4-bromophenyl)-4-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004739
(4S)-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 35179943
1-(4-bromophenyl)-4-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004770
(4S)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40841120

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 92717240) is (4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is COCCn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is DUKJTNMGKFIRJV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-26-11-10-23-18-5-3-2-4-17(18)22-20(23)14-12-19(25)24(13-14)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 414.30 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 92717240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).